N-(3,4-dimethylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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