3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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