(2S)-N-[(2S)-3-(4-acetamidophenyl)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-3-(4-acetamidophenyl)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-[(4-acetamidophenyl)methyl]-2-amino-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-2-carboxamide CAS Name: (2S)-N-[(2S)-3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-1-(benzenesulfonyl)-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(2S)-3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-(4-acetamidobenzyl)-2-amino-2-keto-ethyl]-1-besyl-pipecolinamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5S/c1-16(28)25-18-12-10-17(11-13-18)15-20(22(24)29)26-23(30)21-9-5-6-14-27(21)33(31,32)19-7-3-2-4-8-19/h2-4,7-8,10-13,20-21H,5-6,9,14-15H2,1H3,(H2,24,29)(H,25,28)(H,26,30)/t20-,21-/m0/s1