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

Systemtic Name: 1-[7-methoxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Openeye Name: 1-[7-methoxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone CAS Name: 1-[7-methoxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone IUPAC Name: 1-[7-methoxy-5-(3-methylsulfonylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Traditional Name: 1-[5-(3-mesylphenyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-14(22)21-10-9-15-7-8-17(25-2)12-19(15)20(13-21)16-5-4-6-18(11-16)26(3,23)24/h4-8,11-12,20H,9-10,13H2,1-3H3