Pergolide sulfoxide[培高利特亚砜]

72822-01-6

CAS Name

Pergolide sulfoxide

Molecular Formula

C₁₉H₂₆N₂OS

Molecular Mass

330.49

Other Names and Identifiers

InChI

InChI=1S/C19H26N2OS/c1-3-7-21-11-13(12-23(2)22)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-,23?/m1/s1

InChIKey

InChIKey=WOIHSNDTPKFAJW-LNWQLOGCSA-N

SMILES

C(CC)N1[C@]2([C@@](C=3C=4C(C2)=CNC4C=CC3)(C[C@@H](CS(C)=O)C1)[H])[H]

Canonical SMILES

O=S(C)CC1CN(CCC)C2CC3=CNC4=CC=CC(=C43)C2C1

Other Names for this Substance