2-[3,5-dimethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[3,5-dimethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[3,5-dimethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[3,5-dimethyl-4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[3,5-dimethyl-4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[3,5-dimethyl-4-(3-nitrophenyl)sulfonyl-piperazino]-N-(o-tolyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H26N4O5S/c1-15-7-4-5-10-20(15)22-21(26)14-23-12-16(2)24(17(3)13-23)31(29,30)19-9-6-8-18(11-19)25(27)28/h4-11,16-17H,12-14H2,1-3H3,(H,22,26)