4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]-3-nitro-benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-17-5-3-6-20(15-17)24-10-12-25(13-11-24)32(30,31)14-4-9-23-22(27)19-8-7-18(2)21(16-19)26(28)29/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,23,27)