[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C26H25NO7S/c1-32-21-9-12-23(25(15-21)33-2)24(28)17-34-26(29)19-7-10-22(11-8-19)35(30,31)27-14-13-18-5-3-4-6-20(18)16-27/h3-12,15H,13-14,16-17H2,1-2H3