(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O3S/c1-17-21(23(24)27(25-17)19-7-3-2-4-8-19)13-14-22(28)18-9-11-20(12-10-18)31(29,30)26-15-5-6-16-26/h2-4,7-14H,5-6,15-16H2,1H3/b14-13+