3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-quinolin-8-ylethyl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-quinolin-8-ylethyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(8-quinolyl)ethyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(8-quinolinyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-quinolin-8-ylethyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(8-quinolyl)ethyl]thiophene-2-carboxamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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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=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H23N3O3S2/c29-25(27-14-10-20-8-3-7-19-9-4-13-26-23(19)20)24-22(12-16-32-24)33(30,31)28-15-11-18-5-1-2-6-21(18)17-28/h1-9,12-13,16H,10-11,14-15,17H2,(H,27,29)