3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethoxyphenyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-p-phenetyl-thiophene-2-carboxamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O4S2/c1-2-28-19-9-7-18(8-10-19)23-22(25)21-20(12-14-29-21)30(26,27)24-13-11-16-5-3-4-6-17(16)15-24/h3-10,12,14H,2,11,13,15H2,1H3,(H,23,25)