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

Systemtic Name: 5-(4-chloranylsulfonylphenyl)-3-ethanoyl-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-8-sulfonyl chloride Openeye Name: 3-acetyl-5-(4-chlorosulfonylphenyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-8-sulfonyl chloride CAS Name: 3-acetyl-5-(4-chlorosulfonylphenyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-8-sulfonyl chloride IUPAC Name: 3-acetyl-5-(4-chlorosulfonylphenyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-8-sulfonyl chloride Traditional Name: 3-acetyl-5-(4-chlorosulfonylphenyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-8-sulfonyl chloride Formula: C19H19Cl2NO6S2 MolecularWeight: 492.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2NO6S2/c1-12(23)22-8-7-14-9-19(30(21,26)27)18(28-2)10-16(14)17(11-22)13-3-5-15(6-4-13)29(20,24)25/h3-6,9-10,17H,7-8,11H2,1-2H3