ethanedioic acid; 1-(4-methylcyclohexyl)-4-(phenylsulfonyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-methylcyclohexyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(4-methylcyclohexyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(4-methylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(4-methylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-besyl-4-(4-methylcyclohexyl)piperazine; oxalic acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O2S.C2H2O4/c1-15-7-9-16(10-8-15)18-11-13-19(14-12-18)22(20,21)17-5-3-2-4-6-17;3-1(4)2(5)6/h2-6,15-16H,7-14H2,1H3;(H,3,4)(H,5,6)