N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]quinoline-8-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]quinoline-8-sulfonamide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CSC=C5

InChI

InChI=1S/C24H23N3O2S2/c28-31(29,23-9-3-7-19-8-4-12-25-24(19)23)26-15-22(21-11-14-30-17-21)27-13-10-18-5-1-2-6-20(18)16-27/h1-9,11-12,14,17,22,26H,10,13,15-16H2