1-methyl-3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-4-one

Systemtic Name: 1-methyl-3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-4-one Openeye Name: 1-methyl-6-[(4-methyl-1-piperidyl)sulfonyl]-3-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]quinolin-4-one CAS Name: 1-methyl-3-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-4-quinolinone IUPAC Name: 1-methyl-3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-one Traditional Name: 1-methyl-6-(4-methylpiperidino)sulfonyl-3-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]-4-quinolone Formula: C29H36N4O4S MolecularWeight: 536.68554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)N4CCN(C(C4)C)C5=CC=C(C=C5)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)N4CCN(C(C4)C)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C29H36N4O4S/c1-20-5-7-23(8-6-20)33-16-15-31(18-22(33)3)29(35)26-19-30(4)27-10-9-24(17-25(27)28(26)34)38(36,37)32-13-11-21(2)12-14-32/h5-10,17,19,21-22H,11-16,18H2,1-4H3