7-chloranyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[(4-mesitylsulfonylpiperazino)methyl]-1H-quinazolin-4-one Formula: C22H25ClN4O3S MolecularWeight: 460.9769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S/c1-14-10-15(2)21(16(3)11-14)31(29,30)27-8-6-26(7-9-27)13-20-24-19-12-17(23)4-5-18(19)22(28)25-20/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,25,28)