2-ethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 2-ethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-ethoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-ethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 2-ethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-ethoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C22H22N2O4S2/c1-2-28-20-7-4-3-6-19(20)22(25)23-18-10-9-16-11-12-24(15-17(16)14-18)30(26,27)21-8-5-13-29-21/h3-10,13-14H,2,11-12,15H2,1H3,(H,23,25)