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

Systemtic Name: ethanedioic acid; N-[4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-[(3-nitrophenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(3-nitrobenzyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C21H24N4O9S MolecularWeight: 508.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N4O5S.C2H2O4/c1-15(24)20-17-5-7-19(8-6-17)29(27,28)22-11-9-21(10-12-22)14-16-3-2-4-18(13-16)23(25)26;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3,(H,20,24);(H,3,4)(H,5,6)