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

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-cyclohexyl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-cyclohexyl-5-keto-pyrrolidine-3-carboxamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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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)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)C4CCCCC4

InChI

InChI=1S/C23H33N3O4S/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/h10-13,18,20H,1-9,14-17H2,(H,24,28)/t18-/m0/s1