(E)-N-[3,4-bis(fluoranyl)phenyl]sulfonyl-3-[2-[methyl-(phenylmethyl)sulfonyl-amino]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-N-[3,4-bis(fluoranyl)phenyl]sulfonyl-3-[2-[methyl-(phenylmethyl)sulfonyl-amino]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-[2-[benzylsulfonyl(methyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]-N-(3,4-difluorophenyl)sulfonyl-prop-2-enamide CAS Name: (E)-N-(3,4-difluorophenyl)sulfonyl-3-[2-[methyl-(phenylmethyl)sulfonylamino]-4-(1-pyrazolylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-3-[2-[benzylsulfonyl(methyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]-N-(3,4-difluorophenyl)sulfonylprop-2-enamide Traditional Name: (E)-3-[2-[benzylsulfonyl(methyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]-N-(3,4-difluorophenyl)sulfonyl-acrylamide Formula: C27H24F2N4O5S2 MolecularWeight: 586.630066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)CN2C=CC=N2)C=CC(=O)NS(=O)(=O)C3=CC(=C(C=C3)F)F)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=C(C=CC(=C1)CN2C=CC=N2)/C=C/C(=O)NS(=O)(=O)C3=CC(=C(C=C3)F)F)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H24F2N4O5S2/c1-32(39(35,36)19-20-6-3-2-4-7-20)26-16-21(18-33-15-5-14-30-33)8-9-22(26)10-13-27(34)31-40(37,38)23-11-12-24(28)25(29)17-23/h2-17H,18-19H2,1H3,(H,31,34)/b13-10+