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

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-1-besyl-isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-17(21(26)23-16-18-8-4-2-5-9-18)24-22(27)19-12-14-25(15-13-19)30(28,29)20-10-6-3-7-11-20/h2-11,17,19H,12-16H2,1H3,(H,23,26)(H,24,27)/t17-/m0/s1