4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-1H-quinolin-2-one CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one Traditional Name: 4-(4-tosylpiperazine-1-carbonyl)carbostyril Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O4S/c1-15-6-8-16(9-7-15)29(27,28)24-12-10-23(11-13-24)21(26)18-14-20(25)22-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25)