N-(1-methylpyrazol-3-yl)-3-(4-methylsulfonylphenoxy)-5-(1-oxidanylbutan-2-yloxy)benzamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-3-(4-methylsulfonylphenoxy)-5-(1-oxidanylbutan-2-yloxy)benzamide Openeye Name: 3-[1-(hydroxymethyl)propoxy]-N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)benzamide CAS Name: 3-(1-hydroxybutan-2-yloxy)-N-(1-methyl-3-pyrazolyl)-5-(4-methylsulfonylphenoxy)benzamide IUPAC Name: 3-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)benzamide Traditional Name: 3-(4-mesylphenoxy)-5-(1-methylolpropoxy)-N-(1-methylpyrazol-3-yl)benzamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NN(C=C3)C

Isomeric SMILES

CCC(CO)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NN(C=C3)C

InChI

InChI=1S/C22H25N3O6S/c1-4-16(14-26)30-18-11-15(22(27)23-21-9-10-25(2)24-21)12-19(13-18)31-17-5-7-20(8-6-17)32(3,28)29/h5-13,16,26H,4,14H2,1-3H3,(H,23,24,27)