9-chloranyl-8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-chloranyl-8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=C4C(=C3)C(=O)NC5=CC=CC=C5O4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=C4C(=C3)C(=O)NC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C22H17ClN2O4S/c23-17-12-20-16(22(26)24-18-7-3-4-8-19(18)29-20)11-21(17)30(27,28)25-10-9-14-5-1-2-6-15(14)13-25/h1-8,11-12H,9-10,13H2,(H,24,26)