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

Systemtic Name: ethanedioic acid; N-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-(4-methylcyclohexyl)-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(4-methylcyclohexyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S.C2H2O4/c1-15-3-7-18(8-4-15)21-11-13-22(14-12-21)26(24,25)19-9-5-17(6-10-19)20-16(2)23;3-1(4)2(5)6/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3,(H,20,23);(H,3,4)(H,5,6)