2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-5-(phenylsulfinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-5-(phenylsulfinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Openeye Name: 5-(benzenesulfinyl)-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde CAS Name: 5-(benzenesulfinyl)-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxaldehyde IUPAC Name: 5-(benzenesulfinyl)-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Traditional Name: 5-(benzenesulfinyl)-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=CC(=C(C=C3C(CN2C=O)S(=O)C4=CC=CC=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=CC(=C(C=C3C(CN2C=O)S(=O)C4=CC=CC=C4)OC)OC)OC

InChI

InChI=1S/C27H29NO6S/c1-31-23-11-10-18(13-24(23)32-2)22-12-19-14-25(33-3)26(34-4)15-21(19)27(16-28(22)17-29)35(30)20-8-6-5-7-9-20/h5-11,13-15,17,22,27H,12,16H2,1-4H3