ethanedioic acid; N-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: oxalic acid; N-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: oxalic acid; N-[4-[[4-(4-phenylcyclohexyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: oxalic acid; N-[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: oxalic acid; N-[4-[4-(4-phenylcyclohexyl)piperazino]sulfonylphenyl]acetamide Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O3S.C2H2O4/c1-19(28)25-22-9-13-24(14-10-22)31(29,30)27-17-15-26(16-18-27)23-11-7-21(8-12-23)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-6,9-10,13-14,21,23H,7-8,11-12,15-18H2,1H3,(H,25,28);(H,3,4)(H,5,6)