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

Systemtic Name: N-[2-(diethylamino)-2-oxidanylidene-ethyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-thiophene-2-carboxamide Openeye Name: N-[2-(diethylamino)-2-oxo-ethyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-thiophene-2-carboxamide CAS Name: N-[2-(diethylamino)-2-oxoethyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-2-thiophenecarboxamide IUPAC Name: N-[2-(diethylamino)-2-oxoethyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide Traditional Name: N-[2-(diethylamino)-2-keto-ethyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-thiophene-2-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN(C)C(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)C(=O)CN(C)C(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O4S2/c1-4-23(5-2)19(25)15-22(3)21(26)20-18(11-13-29-20)30(27,28)24-12-10-16-8-6-7-9-17(16)14-24/h6-9,11,13H,4-5,10,12,14-15H2,1-3H3