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

Systemtic Name: 2-[(1S)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]ethyl]-1H-quinazolin-4-one Formula: C26H34N4O3S MolecularWeight: 482.63816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3)C)C(C)(C)C

InChI

InChI=1S/C26H34N4O3S/c1-17-15-20(26(4,5)6)16-18(2)23(17)34(32,33)30-13-11-29(12-14-30)19(3)24-27-22-10-8-7-9-21(22)25(31)28-24/h7-10,15-16,19H,11-14H2,1-6H3,(H,27,28,31)/t19-/m0/s1