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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: N-[3-(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=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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