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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-15-5-6-16(2)20(13-15)23-22(27)18(4)24-9-11-25(12-10-24)32(30,31)21-14-19(26(28)29)8-7-17(21)3/h5-8,13-14,18H,9-12H2,1-4H3,(H,23,27)