[2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate

Systemtic Name: [2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-(4-methoxy-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-keto-2-(4-methoxy-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21FN2O7S/c1-28-17-7-6-14(12-18(17)31(26,27)23-8-10-29-11-9-23)22-19(24)13-30-20(25)15-4-2-3-5-16(15)21/h2-7,12H,8-11,13H2,1H3,(H,22,24)