[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(2-fluoro-5-nitro-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-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-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-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C23H20FN3O7S2 MolecularWeight: 533.549203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H20FN3O7S2/c24-18-8-7-16(27(30)31)12-19(18)25-21(28)14-34-22(29)13-20-17-5-2-1-4-15(17)9-10-26(20)36(32,33)23-6-3-11-35-23/h1-8,11-12,20H,9-10,13-14H2,(H,25,28)