N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4,5-trimethoxy-benzamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O6S/c1-27-18-12-17(13-19(28-2)20(18)29-3)21(24)22-9-11-30(25,26)23-10-8-15-6-4-5-7-16(15)14-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)