N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-oxo-1-phenyl-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[oxo-(5-oxo-1-phenyl-3-pyrrolidinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-keto-1-phenyl-pyrrolidine-3-carbonyl)isonipecotamide Formula: C29H36N4O5S MolecularWeight: 552.68494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N4O5S/c34-27-20-23(21-33(27)25-8-4-3-5-9-25)29(36)31-18-14-22(15-19-31)28(35)30-24-10-12-26(13-11-24)39(37,38)32-16-6-1-2-7-17-32/h3-5,8-13,22-23H,1-2,6-7,14-21H2,(H,30,35)