Benzenesulfonamide, 4-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]azo]phenyl]amino]-3-nitro-N-(phenylsulfonyl)-, monosodium salt

83221-37-8

CAS Name

Benzenesulfonamide, 4-[[4-[2-[4-(2-hydroxybutoxy)-3-methylphenyl]diazenyl]phenyl]amino]-3-nitro-N-(phenylsulfonyl)-, sodium salt (1:1)

Molecular Formula

C₂₉H₂₉N₅O₈S₂.Na

Other Names and Identifiers

InChI

InChI=1S/C29H29N5O8S2.Na/c1-3-24(35)19-42-29-16-13-23(17-20(29)2)32-31-22-11-9-21(10-12-22)30-27-15-14-26(18-28(27)34(36)37)44(40,41)33-43(38,39)25-7-5-4-6-8-25;/h4-18,24,30,33,35H,3,19H2,1-2H3;

InChIKey

InChIKey=XRACDZLCFMCNPD-UHFFFAOYSA-N

SMILES

S(NS(=O)(=O)C1=CC=CC=C1)(=O)(=O)C2=CC(N(=O)=O)=C(NC3=CC=C(N=NC4=CC(C)=C(OCC(CC)O)C=C4)C=C3)C=C2.[Na]

Canonical SMILES

[Na].O=N(=O)C1=CC(=CC=C1NC2=CC=C(N=NC3=CC=C(OCC(O)CC)C(=C3)C)C=C2)S(=O)(=O)NS(=O)(=O)C=4C=CC=CC4

Other Names for this Substance