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

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(3-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[3-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(3-morpholinosulfonylphenyl)acrylamide Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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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)N3CCOCC3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H27ClN4O4S/c1-3-4-10-26-21(22)19(16(2)24-26)8-9-20(27)23-17-6-5-7-18(15-17)31(28,29)25-11-13-30-14-12-25/h5-9,15H,3-4,10-14H2,1-2H3,(H,23,27)/b9-8+