3-ethanoyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride

Systemtic Name: 3-ethanoyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride Openeye Name: 3-acetyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride CAS Name: 3-acetyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride IUPAC Name: 3-acetyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride Traditional Name: 3-acetyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2CC1)S(=O)(=O)Cl)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2CC1)S(=O)(=O)Cl)OC

InChI

InChI=1S/C13H16ClNO4S/c1-9(16)15-5-3-10-7-12(19-2)13(20(14,17)18)8-11(10)4-6-15/h7-8H,3-6H2,1-2H3