N-[6-(4,4-dimethyl-3-oxidanyl-pent-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide

Systemtic Name: N-[6-(4,4-dimethyl-3-oxidanyl-pent-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Openeye Name: N-[6-(3-hydroxy-4,4-dimethyl-pent-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide CAS Name: N-[6-(3-hydroxy-4,4-dimethylpent-1-ynyl)-4-quinazolinyl]-N-(1H-indol-5-yl)benzenesulfonamide IUPAC Name: N-[6-(3-hydroxy-4,4-dimethylpent-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Traditional Name: N-[6-(3-hydroxy-4,4-dimethyl-pent-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C#CC1=CC2=C(C=C1)N=CN=C2N(C3=CC4=C(C=C3)NC=C4)S(=O)(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)C(C#CC1=CC2=C(C=C1)N=CN=C2N(C3=CC4=C(C=C3)NC=C4)S(=O)(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H26N4O3S/c1-29(2,3)27(34)14-10-20-9-12-26-24(17-20)28(32-19-31-26)33(37(35,36)23-7-5-4-6-8-23)22-11-13-25-21(18-22)15-16-30-25/h4-9,11-13,15-19,27,30,34H,1-3H3