3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-1H-quinolin-2-one CAS Name: 3-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]-1H-quinolin-2-one Traditional Name: 3-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]carbostyril Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c1-32(30,31)15-6-7-18(19(13-15)25(28)29)23-8-10-24(11-9-23)21(27)16-12-14-4-2-3-5-17(14)22-20(16)26/h2-7,12-13H,8-11H2,1H3,(H,22,26)