8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-nitro-quinoline Openeye Name: 5-nitro-8-[4-(p-tolylsulfonyl)piperazin-1-yl]quinoline CAS Name: 8-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-5-nitroquinoline IUPAC Name: 8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-nitroquinoline Traditional Name: 5-nitro-8-(4-tosylpiperazino)quinoline Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C20H20N4O4S/c1-15-4-6-16(7-5-15)29(27,28)23-13-11-22(12-14-23)19-9-8-18(24(25)26)17-3-2-10-21-20(17)19/h2-10H,11-14H2,1H3