[2-azanyl-6-[2-(4-oxidanylpiperidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

Systemtic Name: [2-azanyl-6-[2-(4-oxidanylpiperidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone Openeye Name: [2-amino-6-[2-[(4-hydroxy-1-piperidyl)sulfonyl]phenyl]quinazolin-4-yl]-isoindolin-2-yl-methanone CAS Name: [2-amino-6-[2-[(4-hydroxy-1-piperidinyl)sulfonyl]phenyl]-4-quinazolinyl]-(1,3-dihydroisoindol-2-yl)methanone IUPAC Name: [2-amino-6-[2-(4-hydroxypiperidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone Traditional Name: [2-amino-6-[2-(4-hydroxypiperidino)sulfonylphenyl]quinazolin-4-yl]-isoindolin-2-yl-methanone Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)S(=O)(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N

Isomeric SMILES

C1CN(CCC1O)S(=O)(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N

InChI

InChI=1S/C28H27N5O4S/c29-28-30-24-10-9-18(22-7-3-4-8-25(22)38(36,37)33-13-11-21(34)12-14-33)15-23(24)26(31-28)27(35)32-16-19-5-1-2-6-20(19)17-32/h1-10,15,21,34H,11-14,16-17H2,(H2,29,30,31)