N-(2,5-diethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2,5-diethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2,5-diethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2,5-diethoxyphenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-4-27-17-10-11-20(28-5-2)18(13-17)22-21(24)19-12-15-8-6-7-9-16(15)14-23(19)29(3,25)26/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,22,24)