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

Systemtic Name: 2-methoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-methoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-methoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-methoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-methoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CS3)C=C1

Isomeric SMILES

COCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CS3)C=C1

InChI

InChI=1S/C16H18N2O4S2/c1-22-11-15(19)17-14-5-4-12-6-7-18(10-13(12)9-14)24(20,21)16-3-2-8-23-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,17,19)