2-[[2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O)OC1=O

InChI

InChI=1S/C26H21N3O6S/c1-27-21-11-10-17(14-23(21)35-26(27)32)36(33,34)29-13-12-16-6-2-3-7-18(16)22(29)15-28-24(30)19-8-4-5-9-20(19)25(28)31/h2-11,14,22H,12-13,15H2,1H3