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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,4-diethoxy-benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OCC

InChI

InChI=1S/C22H28N2O5S/c1-3-28-20-10-9-18(15-21(20)29-4-2)22(25)23-12-14-30(26,27)24-13-11-17-7-5-6-8-19(17)16-24/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,25)