(E)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[3-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C28H24N4O5S2 MolecularWeight: 560.64396

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O5S2/c29-20-27(38(33,34)25-9-5-2-6-10-25)19-23-21-32(24-7-3-1-4-8-24)30-28(23)22-11-13-26(14-12-22)39(35,36)31-15-17-37-18-16-31/h1-14,19,21H,15-18H2/b27-19+