3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-methyl-thiophene-2-carboxamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O4S2/c1-17-7-6-8-18(2)23(17)26-22(29)16-27(3)25(30)24-21(12-14-33-24)34(31,32)28-13-11-19-9-4-5-10-20(19)15-28/h4-10,12,14H,11,13,15-16H2,1-3H3,(H,26,29)