(Z)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]acrylonitrile Formula: C30H26N6O2S MolecularWeight: 534.63144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C30H26N6O2S/c31-20-23(30-32-27-14-5-6-15-28(27)33-30)18-24-21-36(25-11-3-1-4-12-25)34-29(24)22-10-9-13-26(19-22)39(37,38)35-16-7-2-8-17-35/h1,3-6,9-15,18-19,21H,2,7-8,16-17H2,(H,32,33)/b23-18-