2-[[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methoxy]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methoxy]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methoxy]carbonylanilino)acetic acid CAS Name: 2-(N-[[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-methylsulfonylmethoxy]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonylmethoxy]carbonylanilino)acetic acid Traditional Name: 2-(N-[mesyl-[4-(p-anisylthio)pyrrolidin-2-yl]methoxy]carbonylanilino)acetic acid Formula: C23H28N2O7S2 MolecularWeight: 508.60762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(NC2)C(OC(=O)N(CC(=O)O)C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(NC2)C(OC(=O)N(CC(=O)O)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O7S2/c1-31-18-10-8-16(9-11-18)15-33-19-12-20(24-13-19)22(34(2,29)30)32-23(28)25(14-21(26)27)17-6-4-3-5-7-17/h3-11,19-20,22,24H,12-15H2,1-2H3,(H,26,27)