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

Systemtic Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide Openeye Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide CAS Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide IUPAC Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide Traditional Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]valeramide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-2-3-5-17(21)19-16-8-7-14-9-10-20(13-15(14)12-16)25(22,23)18-6-4-11-24-18/h4,6-8,11-12H,2-3,5,9-10,13H2,1H3,(H,19,21)