(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[4-[(E)-(1-methyl-2-pyrrolidinylidene)amino]sulfonylphenyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acrylamide Formula: C22H28ClN5O3S MolecularWeight: 478.00742

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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)N=C3CCCN3C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)/N=C/3\CCCN3C)Cl

InChI

InChI=1S/C22H28ClN5O3S/c1-4-5-15-28-22(23)19(16(2)25-28)12-13-21(29)24-17-8-10-18(11-9-17)32(30,31)26-20-7-6-14-27(20)3/h8-13H,4-7,14-15H2,1-3H3,(H,24,29)/b13-12+,26-20+