2-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)Br

InChI

InChI=1S/C20H21BrN4O3S/c1-14-12-15(6-7-17(14)21)29(27,28)25-10-8-24(9-11-25)13-19-22-18-5-3-2-4-16(18)20(26)23-19/h2-7,12H,8-11,13H2,1H3,(H,22,23,26)