(E)-3-pyridin-3-yl-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-pyridin-3-yl-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-pyridyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-pyridinyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-pyridin-3-yl-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-pyridyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C18H18N2O3S MolecularWeight: 342.41212

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c21-18(10-5-15-4-3-11-19-14-15)16-6-8-17(9-7-16)24(22,23)20-12-1-2-13-20/h3-11,14H,1-2,12-13H2/b10-5+