2-Anthracenesulfonic acid, 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt

83027-43-4

CAS Name

2-Anthracenesulfonic acid, 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)

Molecular Formula

C₂₈H₂₇N₃O₇S.Na

Other Names and Identifiers

InChI

InChI=1S/C28H27N3O7S.Na/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34;/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37);

InChIKey

InChIKey=MQDWZIJMPMLHCW-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=CC(CN5C(=O)CCCCC5)=C(OC)C=C4.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(OC)C(=C4)CN5C(=O)CCCCC5

Other Names for this Substance