2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-15-7-8-16(2)19(13-15)29(27,28)25-11-9-24(10-12-25)14-20-22-18-6-4-3-5-17(18)21(26)23-20/h3-8,13H,9-12,14H2,1-2H3,(H,22,23,26)