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

Systemtic Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide IUPAC Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Traditional Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S2/c1-2-15(19)17-14-6-5-12-7-8-18(11-13(12)10-14)23(20,21)16-4-3-9-22-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,17,19)