[4-(4-methoxyphenyl)-2-oxidanylidene-1-benzazepin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-methoxyphenyl)-2-oxidanylidene-1-benzazepin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-methoxyphenyl)-2-oxo-1-benzazepin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methoxyphenyl)-2-oxo-1-benzazepin-3-yl]methyl ester IUPAC Name: [4-(4-methoxyphenyl)-2-oxo-1-benzazepin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-(4-methoxyphenyl)-1-benzazepin-3-yl]methyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C3C=CC=CC3=NC2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C3C=CC=CC3=NC2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H21NO5S/c1-17-7-13-21(14-8-17)32(28,29)31-16-23-22(18-9-11-20(30-2)12-10-18)15-19-5-3-4-6-24(19)26-25(23)27/h3-15H,16H2,1-2H3