[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H20BrFN2O5S2 MolecularWeight: 567.447703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H20BrFN2O5S2/c24-16-7-8-19(18(25)12-16)26-21(28)14-32-22(29)13-20-17-5-2-1-4-15(17)9-10-27(20)34(30,31)23-6-3-11-33-23/h1-8,11-12,20H,9-10,13-14H2,(H,26,28)