[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)F)OC(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=C(C=C2)F)OC(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21FN2O5S/c21-15-8-6-14(7-9-15)19(20(25)23-16-10-11-16)28-18(24)12-13-22-29(26,27)17-4-2-1-3-5-17/h1-9,16,19,22H,10-13H2,(H,23,25)