7-chloranyl-2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN4O3S/c1-14-3-5-17(11-15(14)2)30(28,29)26-9-7-25(8-10-26)13-20-23-19-12-16(22)4-6-18(19)21(27)24-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,27)