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

Systemtic Name: 2-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitrobenzamide Traditional Name: 2-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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