3-ethanoyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfinate

Systemtic Name: 3-ethanoyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfinate Openeye Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfinate CAS Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfinate IUPAC Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfinate Traditional Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfinate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(CC1)C=C(C=C2)S(=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C(CC1)C=C(C=C2)S(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-6-4-10-2-3-12(17(15)16)8-11(10)5-7-13/h2-3,8H,4-7H2,1H3,(H,15,16)/p-1