N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyramide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3S/c1-16-22(17(2)27(25-16)19-8-5-4-6-9-19)24-21(28)10-7-15-26(3)31(29,30)20-13-11-18(23)12-14-20/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,24,28)