N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]isonipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O4S/c23-19-8-6-17(7-9-19)16-25-21(27)10-13-24-22(28)18-11-14-26(15-12-18)31(29,30)20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,24,28)(H,25,27)