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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-13(2)10-17(21)19-16-6-5-14-7-8-20(12-15(14)11-16)25(22,23)18-4-3-9-24-18/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H,19,21)