(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acrylamide Formula: C23H31ClN4O4S MolecularWeight: 495.03464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)Cl

InChI

InChI=1S/C23H31ClN4O4S/c1-4-5-15-28-23(24)19(17(2)26-28)10-12-22(29)25-20-16-18(9-11-21(20)32-3)33(30,31)27-13-7-6-8-14-27/h9-12,16H,4-8,13-15H2,1-3H3,(H,25,29)/b12-10+