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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-16-5-3-6-18(15-16)23-10-12-24(13-11-23)31(29,30)14-9-22-21(26)19-7-4-8-20(17(19)2)25(27)28/h3-8,15H,9-14H2,1-2H3,(H,22,26)