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

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-1-phenyl-pyrrolidine-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c27-22-16-18(17-26(22)20-8-4-3-5-9-20)23(28)24-19-10-12-21(13-11-19)31(29,30)25-14-6-1-2-7-15-25/h3-5,8-13,18H,1-2,6-7,14-17H2,(H,24,28)/t18-/m0/s1