ethyl (E)-3-[4-[(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-fluoro-3-pyrrolidinosulfonyl-benzoyl)amino]phenyl]acrylic acid ethyl ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H23FN2O5S/c1-2-30-21(26)12-7-16-5-9-18(10-6-16)24-22(27)17-8-11-19(23)20(15-17)31(28,29)25-13-3-4-14-25/h5-12,15H,2-4,13-14H2,1H3,(H,24,27)/b12-7+