3,4-diethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 3,4-diethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3,4-diethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 3,4-diethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3,4-diethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-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)NC2=CC3=C(CCN(C3)S(=O)(=O)CC)C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)CC)C=C2)OCC

InChI

InChI=1S/C22H28N2O5S/c1-4-28-20-10-8-17(14-21(20)29-5-2)22(25)23-19-9-7-16-11-12-24(15-18(16)13-19)30(26,27)6-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25)