5-chloranyl-7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carbaldehyde

Systemtic Name: 5-chloranyl-7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carbaldehyde Openeye Name: 5-chloro-7,8-dimethoxy-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carbaldehyde CAS Name: 5-chloro-7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxaldehyde IUPAC Name: 5-chloro-7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carbaldehyde Traditional Name: 5-chloro-7,8-dimethoxy-1-tosyl-2,3-dihydro-1-benzazepine-4-carbaldehyde Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(C3=CC(=C(C=C32)OC)OC)Cl)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(C3=CC(=C(C=C32)OC)OC)Cl)C=O

InChI

InChI=1S/C20H20ClNO5S/c1-13-4-6-15(7-5-13)28(24,25)22-9-8-14(12-23)20(21)16-10-18(26-2)19(27-3)11-17(16)22/h4-7,10-12H,8-9H2,1-3H3