N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl]isonipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O4S/c1-16(21(27)24-15-17-7-9-19(23)10-8-17)25-22(28)18-11-13-26(14-12-18)31(29,30)20-5-3-2-4-6-20/h2-10,16,18H,11-15H2,1H3,(H,24,27)(H,25,28)/t16-/m0/s1