N-[(1R,2S)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylcyclohexyl]benzenesulfonamide

Systemtic Name: N-[(1R,2S)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylcyclohexyl]benzenesulfonamide Openeye Name: N-[(1R,2S)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylcyclohexyl]benzenesulfonamide CAS Name: N-[(1R,2S)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]cyclohexyl]benzenesulfonamide IUPAC Name: N-[(1R,2S)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylcyclohexyl]benzenesulfonamide Traditional Name: N-[(1R,2S)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]cyclohexyl]benzenesulfonamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H]4CCCC[C@H]4NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S2/c1-2-20-16-18-21(19-17-20)31-27(32)23-12-6-7-13-24(23)29-28(31)35-26-15-9-8-14-25(26)30-36(33,34)22-10-4-3-5-11-22/h3-7,10-13,16-19,25-26,30H,2,8-9,14-15H2,1H3/t25-,26+/m1/s1