2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)C)C

InChI

InChI=1S/C23H28N4O3S/c1-15-13-16(2)18(4)22(17(15)3)31(29,30)27-11-9-26(10-12-27)14-21-24-20-8-6-5-7-19(20)23(28)25-21/h5-8,13H,9-12,14H2,1-4H3,(H,24,25,28)