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

Systemtic Name: 4-bromanyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-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=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C21H21BrN2O2S2/c22-18-7-9-19(10-8-18)28(25,26)23-14-20(21-6-3-13-27-21)24-12-11-16-4-1-2-5-17(16)15-24/h1-10,13,20,23H,11-12,14-15H2/t20-/m0/s1