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

Systemtic Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1-methyl-2-benzimidazolyl)-3-[3-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C30H26N6O3S MolecularWeight: 550.63084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=C6)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CN(N=C3C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=C6)/C#N

InChI

InChI=1S/C30H26N6O3S/c1-34-28-10-6-5-9-27(28)32-30(34)23(20-31)19-24-21-36(25-7-3-2-4-8-25)33-29(24)22-11-13-26(14-12-22)40(37,38)35-15-17-39-18-16-35/h2-14,19,21H,15-18H2,1H3/b23-19+