2-[[7-fluoranyl-1-[2-methoxy-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[7-fluoranyl-1-[2-methoxy-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[7-fluoro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[7-fluoro-1-[[2-methoxy-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl ester IUPAC Name: 2-[[7-fluoro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[7-fluoro-1-[2-methoxy-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl ester Formula: C35H35FN2O7S MolecularWeight: 646.725003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCCN(C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCCN(C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

InChI

InChI=1S/C35H35FN2O7S/c1-23-10-14-27(15-11-23)46(41,42)45-20-19-44-32-9-6-18-38(31-17-12-25(36)21-30(31)32)35(40)29-16-13-26(22-33(29)43-3)37-34(39)28-8-5-4-7-24(28)2/h4-5,7-8,10-17,21-22,32H,6,9,18-20H2,1-3H3,(H,37,39)