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

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

Isomeric SMILES

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

InChI

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