4-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C21H21BrN2O2S2 MolecularWeight: 477.43764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=C(C=C3)Br)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=C(C=C3)Br)C4=CSC=C4

InChI

InChI=1S/C21H21BrN2O2S2/c22-19-5-7-20(8-6-19)28(25,26)23-13-21(18-10-12-27-15-18)24-11-9-16-3-1-2-4-17(16)14-24/h1-8,10,12,15,21,23H,9,11,13-14H2