(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c33-27(23-10-13-26(14-11-23)36(34,35)32-17-4-5-18-32)15-12-25-21-31(20-22-7-2-1-3-8-22)30-28(25)24-9-6-16-29-19-24/h1-3,6-16,19,21H,4-5,17-18,20H2/b15-12+