4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: 3-nitro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzamide CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: 3-nitro-4-(4-tosylpiperazino)benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-13-2-5-15(6-3-13)28(26,27)21-10-8-20(9-11-21)16-7-4-14(18(19)23)12-17(16)22(24)25/h2-7,12H,8-11H2,1H3,(H2,19,23)