8-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 8-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 8-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 8-methyl-5-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylquinoline Traditional Name: 8-methyl-5-[4-(4-nitrophenyl)piperazino]sulfonyl-quinoline Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C=CC=N2

InChI

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