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

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide CAS Name: N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-3-nitrobenzamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-3-nitrobenzamide Traditional Name: N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-17-5-2-7-19(15-17)23-10-12-24(13-11-23)31(29,30)14-4-9-22-21(26)18-6-3-8-20(16-18)25(27)28/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,22,26)