[(2S)-7-methoxy-3,5-dimethyl-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-2-yl]methyl methanesulfonate

Systemtic Name: [(2S)-7-methoxy-3,5-dimethyl-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-2-yl]methyl methanesulfonate Openeye Name: [(2S)-7-methoxy-3,5-dimethyl-4-oxo-2,5-dihydro-1H-3-benzazepin-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(2S)-7-methoxy-3,5-dimethyl-4-oxo-2,5-dihydro-1H-3-benzazepin-2-yl]methyl ester IUPAC Name: [(2S)-7-methoxy-3,5-dimethyl-4-oxo-2,5-dihydro-1H-3-benzazepin-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(2S)-4-keto-7-methoxy-3,5-dimethyl-2,5-dihydro-1H-3-benzazepin-2-yl]methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC(N(C1=O)C)COS(=O)(=O)C)C=CC(=C2)OC

Isomeric SMILES

CC1C2=C(C[C@H](N(C1=O)C)COS(=O)(=O)C)C=CC(=C2)OC

InChI

InChI=1S/C15H21NO5S/c1-10-14-8-13(20-3)6-5-11(14)7-12(16(2)15(10)17)9-21-22(4,18)19/h5-6,8,10,12H,7,9H2,1-4H3/t10?,12-/m0/s1