1-cyclohexa-1,5-dien-1-yloxy-2-(3,4-dimethoxyphenyl)sulfonyl-1H-isoquinoline

Systemtic Name: 1-cyclohexa-1,5-dien-1-yloxy-2-(3,4-dimethoxyphenyl)sulfonyl-1H-isoquinoline Openeye Name: 1-cyclohexa-1,5-dien-1-yloxy-2-(3,4-dimethoxyphenyl)sulfonyl-1H-isoquinoline CAS Name: 1-(1-cyclohexa-1,5-dienyloxy)-2-(3,4-dimethoxyphenyl)sulfonyl-1H-isoquinoline IUPAC Name: 1-cyclohexa-1,5-dien-1-yloxy-2-(3,4-dimethoxyphenyl)sulfonyl-1H-isoquinoline Traditional Name: 1-cyclohexa-1,5-dien-1-yloxy-2-(3,4-dimethoxyphenyl)sulfonyl-1H-isoquinoline Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2OC4=CCCC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2OC4=CCCC=C4)OC

InChI

InChI=1S/C23H23NO5S/c1-27-21-13-12-19(16-22(21)28-2)30(25,26)24-15-14-17-8-6-7-11-20(17)23(24)29-18-9-4-3-5-10-18/h4,6-16,23H,3,5H2,1-2H3