2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(4-tosylpiperazino)ethyl ester Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O8S/c1-15-2-4-19(5-3-15)33(30,31)22-8-6-21(7-9-22)10-11-32-20(25)16-12-17(23(26)27)14-18(13-16)24(28)29/h2-5,12-14H,6-11H2,1H3