4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 4-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 4-[4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydrocarbostyril Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC(=O)NC4=CC=CC=C34)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC(=O)NC4=CC=CC=C34)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-14-12-15(6-7-18(14)22)30(28,29)25-10-8-24(9-11-25)21(27)17-13-20(26)23-19-5-3-2-4-16(17)19/h2-7,12,17H,8-11,13H2,1H3,(H,23,26)