[(5R)-8-chloranyl-6-methanoyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate

Systemtic Name: [(5R)-8-chloranyl-6-methanoyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate Openeye Name: [(5R)-8-chloro-6-formyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [(5R)-8-chloro-6-formyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [(5R)-8-chloro-6-formyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [(5R)-8-chloro-6-formyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C(=C2C(C1)C3=CC=CC=C3)C=O)OS(=O)(=O)C)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C(=C2[C@H](C1)C3=CC=CC=C3)C=O)OS(=O)(=O)C)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-21-9-8-14-10-17(20)19(25-26(2,23)24)16(12-22)18(14)15(11-21)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3/t15-/m1/s1