2-(4-butoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-butoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-butoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-butoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-butoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-butoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H27NO5S/c1-4-5-12-27-18-6-8-19(9-7-18)28(23,24)22-11-10-16-13-20(25-2)21(26-3)14-17(16)15-22/h6-9,13-14H,4-5,10-12,15H2,1-3H3