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

Systemtic Name: 3-[[7-chloranyl-1-[2-methoxy-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[[7-chloro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[7-chloro-1-[[2-methoxy-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl ester IUPAC Name: 3-[[7-chloro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[[7-chloro-1-[2-methoxy-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl ester Formula: C36H37ClN2O7S MolecularWeight: 677.20618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2CCCN(C3=C2C=C(C=C3)Cl)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)OCCCOC2CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

InChI

InChI=1S/C36H37ClN2O7S/c1-24-11-15-28(16-12-24)47(42,43)46-21-7-20-45-33-10-6-19-39(32-18-13-26(37)22-31(32)33)36(41)30-17-14-27(23-34(30)44-3)38-35(40)29-9-5-4-8-25(29)2/h4-5,8-9,11-18,22-23,33H,6-7,10,19-21H2,1-3H3,(H,38,40)