N-(2,5-dimethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-15-7-8-16(2)17(13-15)21-20(25)14-22-9-11-23(12-10-22)30(28,29)19-6-4-3-5-18(19)24(26)27/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)