(2S)-N-[(2S)-1-azanyl-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(m-tolylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-2-keto-1-(3-methylbenzyl)ethyl]-1-besyl-pipecolinamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)N)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-16-8-7-9-17(14-16)15-19(21(23)26)24-22(27)20-12-5-6-13-25(20)30(28,29)18-10-3-2-4-11-18/h2-4,7-11,14,19-20H,5-6,12-13,15H2,1H3,(H2,23,26)(H,24,27)/t19-,20-/m0/s1