5-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-2-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

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