(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-(3-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(3-mesylphenyl)acrylamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-4-5-11-22-18(19)16(13(2)21-22)9-10-17(23)20-14-7-6-8-15(12-14)26(3,24)25/h6-10,12H,4-5,11H2,1-3H3,(H,20,23)/b10-9+