(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[1-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-pyrrolidinosulfonylphenyl)pyrazol-4-yl]acrylamide Formula: C29H29N7O3S MolecularWeight: 555.65066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N7O3S/c30-20-24(29(37)32-12-7-14-34-17-13-31-22-34)18-25-21-36(26-9-2-1-3-10-26)33-28(25)23-8-6-11-27(19-23)40(38,39)35-15-4-5-16-35/h1-3,6,8-11,13,17-19,21-22H,4-5,7,12,14-16H2,(H,32,37)/b24-18+