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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-phenethyl-thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-phenethyl-thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-phenethyl-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-phenethylthiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-phenethyl-thiophene-2-carboxamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S2/c25-22(23-13-10-17-6-2-1-3-7-17)21-20(12-15-28-21)29(26,27)24-14-11-18-8-4-5-9-19(18)16-24/h1-9,12,15H,10-11,13-14,16H2,(H,23,25)