N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(2-phenyl-2-pyrrolidino-ethyl)nipecotamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(25-18-23(26-15-7-8-16-26)20-10-3-1-4-11-20)21-12-9-17-27(19-21)31(29,30)22-13-5-2-6-14-22/h1-6,10-11,13-14,21,23H,7-9,12,15-19H2,(H,25,28)