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

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(4-pyrrolidinosulfonylphenyl)acrylamide Formula: C21H27ClN4O3S MolecularWeight: 450.98208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H27ClN4O3S/c1-3-4-15-26-21(22)19(16(2)24-26)11-12-20(27)23-17-7-9-18(10-8-17)30(28,29)25-13-5-6-14-25/h7-12H,3-6,13-15H2,1-2H3,(H,23,27)/b12-11+