methyl 2-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]benzoate

Systemtic Name: methyl 2-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]benzoate Openeye Name: methyl 2-[[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzoate CAS Name: 2-[[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]benzoate Traditional Name: 2-[[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzoic acid methyl ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H24N2O6S/c1-33-24-15-19(20-13-18-7-3-5-9-23(18)28-16-20)14-21-17-29(11-12-35-26(21)24)36(31,32)25-10-6-4-8-22(25)27(30)34-2/h3-10,13-16H,11-12,17H2,1-2H3