(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O5S/c1-32-21-8-6-7-20(16-21)27-17-18(15-23(27)28)24(29)25-19-9-11-22(12-10-19)33(30,31)26-13-4-2-3-5-14-26/h6-12,16,18H,2-5,13-15,17H2,1H3,(H,25,29)/t18-/m0/s1