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

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C23H26FN3O4S MolecularWeight: 459.533643

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O4S/c24-18-5-9-20(10-6-18)27-16-17(15-22(27)28)23(29)25-19-7-11-21(12-8-19)32(30,31)26-13-3-1-2-4-14-26/h5-12,17H,1-4,13-16H2,(H,25,29)/t17-/m0/s1