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

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-nitro-benzamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]sulfonylethyl]-2-nitro-benzamide CAS Name: N-[2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]ethyl]-2-nitrobenzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-nitrobenzamide Traditional Name: N-[2-[4-(m-tolyl)piperazino]sulfonylethyl]-2-nitro-benzamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-16-5-4-6-17(15-16)22-10-12-23(13-11-22)30(28,29)14-9-21-20(25)18-7-2-3-8-19(18)24(26)27/h2-8,15H,9-14H2,1H3,(H,21,25)