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

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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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=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c26-22(13-8-18-16-23-25(17-18)20-6-2-1-3-7-20)19-9-11-21(12-10-19)29(27,28)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15H2/b13-8+