(2-methyl-3-methylimino-1-oxidanyl-1H-2-benzazepin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-3-methylimino-1-oxidanyl-1H-2-benzazepin-5-yl) 4-methylbenzenesulfonate Openeye Name: (1-hydroxy-2-methyl-3-methylimino-1H-2-benzazepin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-hydroxy-2-methyl-3-methylimino-1H-2-benzazepin-5-yl) ester IUPAC Name: (1-hydroxy-2-methyl-3-methylimino-1H-2-benzazepin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-hydroxy-2-methyl-3-methylimino-1H-2-benzazepin-5-yl) ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC)N(C(C3=CC=CC=C32)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC)N(C(C3=CC=CC=C32)O)C

InChI

InChI=1S/C19H20N2O4S/c1-13-8-10-14(11-9-13)26(23,24)25-17-12-18(20-2)21(3)19(22)16-7-5-4-6-15(16)17/h4-12,19,22H,1-3H3