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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-[4-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(4-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=C(C=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=C(C=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(30-32-27-11-5-6-12-28(27)33-30)19-24-21-36(25-9-3-1-4-10-25)34-29(24)22-13-15-26(16-14-22)39(37,38)35-17-7-2-8-18-35/h1,3-6,9-16,19,21H,2,7-8,17-18H2,(H,32,33)/b23-19+