2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl ester IUPAC Name: 2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=CC=CC=C3COC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=CC=CC=C3COC4=CC=CC=C42

InChI

InChI=1S/C22H21NO4S/c1-17-10-12-19(13-11-17)28(24,25)27-15-14-23-20-7-3-2-6-18(20)16-26-22-9-5-4-8-21(22)23/h2-13H,14-16H2,1H3