(E)-3-(1-phenylpyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(4-pyrrolidinosulfonylphenyl)acrylamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c27-22(13-8-18-16-23-26(17-18)20-6-2-1-3-7-20)24-19-9-11-21(12-10-19)30(28,29)25-14-4-5-15-25/h1-3,6-13,16-17H,4-5,14-15H2,(H,24,27)/b13-8+