(2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-besyl-piperazine-2-carboxamide Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2CCCCC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H32N4O5S/c1-16(27)25-12-13-26(32(30,31)18-10-6-3-7-11-18)20(15-25)22(29)24-19(21(23)28)14-17-8-4-2-5-9-17/h3,6-7,10-11,17,19-20H,2,4-5,8-9,12-15H2,1H3,(H2,23,28)(H,24,29)/t19-,20-/m0/s1