5-ethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide

Systemtic Name: 5-ethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide Openeye Name: 5-ethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide CAS Name: 5-ethyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-thiophenesulfonamide IUPAC Name: 5-ethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide Traditional Name: 5-ethyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2

InChI

InChI=1S/C18H22N2O3S2/c1-3-16-7-8-18(24-16)25(22,23)19-15-6-5-13-9-10-20(17(21)4-2)12-14(13)11-15/h5-8,11,19H,3-4,9-10,12H2,1-2H3