N-[5-chloranyl-4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[5-chloranyl-4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[5-chloro-2-hydroxy-4-[[2-(3-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C27H25ClN4O5S MolecularWeight: 553.0292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H25ClN4O5S/c1-3-25(38(36,37)20-11-7-8-17(2)12-20)27(35)30-22-14-24(33)23(13-21(22)28)31-26(34)18-15-29-32(16-18)19-9-5-4-6-10-19/h4-16,25,33H,3H2,1-2H3,(H,30,35)(H,31,34)