N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-morpholinosulfonyl-benzamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-morpholinosulfonyl-benzamide Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O4S/c1-16-20(21(23)28(26-16)18-7-3-2-4-8-18)15-24-25-22(29)17-6-5-9-19(14-17)33(30,31)27-10-12-32-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,25,29)/b24-15+