N-(3-methylphenyl)-N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]benzenesulfonamide

Systemtic Name: N-(3-methylphenyl)-N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]benzenesulfonamide Openeye Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-(m-tolyl)benzenesulfonamide CAS Name: N-[6-[2-(3-hydroxy-3-piperidinyl)ethynyl]-4-quinazolinyl]-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: N-[6-[2-(3-hydroxypiperidin-3-yl)ethynyl]quinazolin-4-yl]-N-(3-methylphenyl)benzenesulfonamide Traditional Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-(m-tolyl)benzenesulfonamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-21-7-5-8-23(17-21)32(36(34,35)24-9-3-2-4-10-24)27-25-18-22(11-12-26(25)30-20-31-27)13-15-28(33)14-6-16-29-19-28/h2-5,7-12,17-18,20,29,33H,6,14,16,19H2,1H3