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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonyl)-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-1-(2-thenoyl)piperazine-2-carboxamide Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O5S2/c26-23(30)20(16-18-8-3-1-4-9-18)27-24(31)21-17-28(36(33,34)19-10-5-2-6-11-19)13-14-29(21)25(32)22-12-7-15-35-22/h2,5-7,10-12,15,18,20-21H,1,3-4,8-9,13-14,16-17H2,(H2,26,30)(H,27,31)/t20-,21-/m0/s1