2-(4-chlorophenyl)sulfonyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C26H18ClN3O4S MolecularWeight: 503.95682

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H18ClN3O4S/c27-20-7-9-22(10-8-20)35(31,32)23(16-28)14-19-17-30(21-4-2-1-3-5-21)29-26(19)18-6-11-24-25(15-18)34-13-12-33-24/h1-11,14-15,17H,12-13H2