[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O5S/c22-17-9-6-16(7-10-17)8-11-21(26)29-15-20(25)23-18-4-3-5-19(14-18)30(27,28)24-12-1-2-13-24/h3-11,14H,1-2,12-13,15H2,(H,23,25)/b11-8+