[7-chloranyl-4-(4-methoxyphenyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-chloranyl-4-(4-methoxyphenyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-methylbenzenesulfonate Openeye Name: [7-chloro-4-(4-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-chloro-4-(4-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl] ester IUPAC Name: [7-chloro-4-(4-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-chloro-2-keto-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-3-yl] ester Formula: C24H22ClNO5S MolecularWeight: 471.95318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(CC3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(CC3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H22ClNO5S/c1-15-3-10-20(11-4-15)32(28,29)31-23-21(16-5-8-19(30-2)9-6-16)14-17-13-18(25)7-12-22(17)26-24(23)27/h3-13,21,23H,14H2,1-2H3,(H,26,27)