(1S,2R)-2-[4-(phenylsulfonyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[4-(phenylsulfonyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[4-(benzenesulfonyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[4-(benzenesulfonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-(4-besylpiperazine-1-carbonyl)cyclohexanecarboxylic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c21-17(15-8-4-5-9-16(15)18(22)23)19-10-12-20(13-11-19)26(24,25)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)/t15-,16+/m1/s1