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

Systemtic Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide Openeye Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide IUPAC Name: N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide Traditional Name: N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butyramide Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S2/c1-2-4-16(20)18-15-7-6-13-8-9-19(12-14(13)11-15)24(21,22)17-5-3-10-23-17/h3,5-7,10-11H,2,4,8-9,12H2,1H3,(H,18,20)