ethanedioic acid; N-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(m-tolylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(3-methylbenzyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O3S.C2H2O4/c1-16-4-3-5-18(14-16)15-22-10-12-23(13-11-22)27(25,26)20-8-6-19(7-9-20)21-17(2)24;3-1(4)2(5)6/h3-9,14H,10-13,15H2,1-2H3,(H,21,24);(H,3,4)(H,5,6)