N-[3-(hydroxymethyl)cyclopentyl]-N-methyl-6-[3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]pyridine-3-sulfonamide

Systemtic Name: N-[3-(hydroxymethyl)cyclopentyl]-N-methyl-6-[3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]pyridine-3-sulfonamide Openeye Name: 6-(4-benzyl-3-oxo-1H-pyrazol-2-yl)-N-[3-(hydroxymethyl)cyclopentyl]-N-methyl-pyridine-3-sulfonamide CAS Name: N-[3-(hydroxymethyl)cyclopentyl]-N-methyl-6-[3-oxo-4-(phenylmethyl)-1H-pyrazol-2-yl]-3-pyridinesulfonamide IUPAC Name: 6-(4-benzyl-3-oxo-1H-pyrazol-2-yl)-N-[3-(hydroxymethyl)cyclopentyl]-N-methylpyridine-3-sulfonamide Traditional Name: 6-(4-benzyl-5-keto-3-pyrazolin-1-yl)-N-methyl-N-(3-methylolcyclopentyl)pyridine-3-sulfonamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(C1)CO)S(=O)(=O)C2=CN=C(C=C2)N3C(=O)C(=CN3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1CCC(C1)CO)S(=O)(=O)C2=CN=C(C=C2)N3C(=O)C(=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c1-25(19-8-7-17(12-19)15-27)31(29,30)20-9-10-21(23-14-20)26-22(28)18(13-24-26)11-16-5-3-2-4-6-16/h2-6,9-10,13-14,17,19,24,27H,7-8,11-12,15H2,1H3