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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-(2-thienyl)ethyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-thiophen-2-ylethyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-(2-thienyl)ethyl]thiophene-2-carboxamide Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2O3S3/c1-14(17-7-4-11-26-17)21-20(23)19-18(9-12-27-19)28(24,25)22-10-8-15-5-2-3-6-16(15)13-22/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,21,23)