2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-(phenylsulfinylmethyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-(phenylsulfinylmethyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(benzenesulfinylmethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,4-dihydroisoquinolin-3-one CAS Name: 1-(benzenesulfinylmethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(benzenesulfinylmethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(benzenesulfinylmethyl)-2-homoveratryl-5,6-dimethoxy-1,4-dihydroisoquinolin-3-one Formula: C28H31NO6S MolecularWeight: 509.61384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C3=C(CC2=O)C(=C(C=C3)OC)OC)CS(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C3=C(CC2=O)C(=C(C=C3)OC)OC)CS(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H31NO6S/c1-32-24-12-10-19(16-26(24)34-3)14-15-29-23(18-36(31)20-8-6-5-7-9-20)21-11-13-25(33-2)28(35-4)22(21)17-27(29)30/h5-13,16,23H,14-15,17-18H2,1-4H3