N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)NC[C@@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23FN2O3S2/c1-28-20-9-8-18(23)13-22(20)30(26,27)24-14-19(21-7-4-12-29-21)25-11-10-16-5-2-3-6-17(16)15-25/h2-9,12-13,19,24H,10-11,14-15H2,1H3/t19-/m0/s1