3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-thiophene-2-carboxamide Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S2/c1-18-14-19(2)16-22(15-18)31-12-11-26(3)25(28)24-23(9-13-32-24)33(29,30)27-10-8-20-6-4-5-7-21(20)17-27/h4-7,9,13-16H,8,10-12,17H2,1-3H3