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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-15(2)14-25-21(22)19(16(3)23-25)10-11-20(26)17-6-8-18(9-7-17)29(27,28)24-12-4-5-13-24/h6-11,15H,4-5,12-14H2,1-3H3/b11-10+