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

Systemtic Name: 3-ethanoyl-8-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride Openeye Name: 3-acetyl-8-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride CAS Name: 3-acetyl-8-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride IUPAC Name: 3-acetyl-8-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride Traditional Name: 3-acetyl-8-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)S(=O)(=O)Cl)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)S(=O)(=O)Cl)OC

InChI

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