[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H21FN2O5S2/c23-17-8-6-16(7-9-17)22(19-2-1-13-31-19)25-20(26)14-30-21(27)12-5-15-3-10-18(11-4-15)32(24,28)29/h1-4,6-11,13,22H,5,12,14H2,(H,25,26)(H2,24,28,29)