2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[1-methyl-5-(4-methylsulfonylphenyl)carbonyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[1-methyl-5-(4-methylsulfonylphenyl)carbonyl-pyrrol-3-yl]ethanone Openeye Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[1-methyl-5-(4-methylsulfonylbenzoyl)pyrrol-3-yl]ethanone CAS Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[1-methyl-5-[(4-methylsulfonylphenyl)-oxomethyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[1-methyl-5-(4-methylsulfonylbenzoyl)pyrrol-3-yl]ethanone Traditional Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(4-mesylbenzoyl)-1-methyl-pyrrol-3-yl]ethanone Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C26H28N2O6S/c1-27-14-20(11-22(27)26(30)17-5-7-21(8-6-17)35(4,31)32)23(29)16-28-10-9-18-12-24(33-2)25(34-3)13-19(18)15-28/h5-8,11-14H,9-10,15-16H2,1-4H3