3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H28N4O5S/c1-16-4-6-20(15-17(16)2)32(30,31)25-12-10-24(11-13-25)9-8-22(27)23-21-7-5-19(26(28)29)14-18(21)3/h4-7,14-15H,8-13H2,1-3H3,(H,23,27)