2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C25H32N4O3S MolecularWeight: 468.61158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)C)C(C)(C)C

InChI

InChI=1S/C25H32N4O3S/c1-17-14-19(25(3,4)5)15-18(2)23(17)33(31,32)29-12-10-28(11-13-29)16-22-26-21-9-7-6-8-20(21)24(30)27-22/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,27,30)