1-[5-(3-methylsulfonylphenyl)-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone

Systemtic Name: 1-[5-(3-methylsulfonylphenyl)-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Openeye Name: 1-[7-hydroxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone CAS Name: 1-[7-hydroxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone IUPAC Name: 1-[7-hydroxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Traditional Name: 1-[7-hydroxy-5-(3-mesylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C=C(C=C2)O)C(C1)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCC2=C(C=C(C=C2)O)C(C1)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H21NO4S/c1-13(21)20-9-8-14-6-7-16(22)11-18(14)19(12-20)15-4-3-5-17(10-15)25(2,23)24/h3-7,10-11,19,22H,8-9,12H2,1-2H3