8-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]sulfanylquinoline

Systemtic Name: 8-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]sulfanylquinoline Openeye Name: 8-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]sulfanylquinoline CAS Name: 8-[[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]thio]quinoline IUPAC Name: 8-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]sulfanylquinoline Traditional Name: 8-[[2-nitro-5-(4-tosylpiperazino)phenyl]thio]quinoline Formula: C26H24N4O4S2 MolecularWeight: 520.62316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H24N4O4S2/c1-19-7-10-22(11-8-19)36(33,34)29-16-14-28(15-17-29)21-9-12-23(30(31)32)25(18-21)35-24-6-2-4-20-5-3-13-27-26(20)24/h2-13,18H,14-17H2,1H3