S-[1-[[4-[(4-methylphenyl)sulfonyl-phenyl-amino]phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[[4-[(4-methylphenyl)sulfonyl-phenyl-amino]phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[[4-[N-(p-tolylsulfonyl)anilino]phenyl]methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-(N-(4-methylphenyl)sulfonylanilino)phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[4-(N-(4-methylphenyl)sulfonylanilino)phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(N-tosylanilino)benzyl]pyrrolidin-3-yl] ester Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)CN4CC(CC4=O)SC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)CN4CC(CC4=O)SC(=O)C

InChI

InChI=1S/C26H26N2O4S2/c1-19-8-14-25(15-9-19)34(31,32)28(22-6-4-3-5-7-22)23-12-10-21(11-13-23)17-27-18-24(16-26(27)30)33-20(2)29/h3-15,24H,16-18H2,1-2H3