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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-besyl-pipecolinamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c22-20(25)18(15-16-9-3-1-4-10-16)23-21(26)19-13-7-8-14-24(19)29(27,28)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-19H,1,3-4,7-10,13-15H2,(H2,22,25)(H,23,26)/t18-,19-/m0/s1