2-[[5-(2-hydroxyethylcarbamoyl)-3,4-dihydropyrazol-2-yl]methyl]benzenesulfonic acid

Systemtic Name: 2-[[5-(2-hydroxyethylcarbamoyl)-3,4-dihydropyrazol-2-yl]methyl]benzenesulfonic acid Openeye Name: 2-[[5-(2-hydroxyethylcarbamoyl)-3,4-dihydropyrazol-2-yl]methyl]benzenesulfonic acid CAS Name: 2-[[5-[(2-hydroxyethylamino)-oxomethyl]-3,4-dihydropyrazol-2-yl]methyl]benzenesulfonic acid IUPAC Name: 2-[[5-(2-hydroxyethylcarbamoyl)-3,4-dihydropyrazol-2-yl]methyl]benzenesulfonic acid Traditional Name: 2-[[3-(2-hydroxyethylcarbamoyl)-2-pyrazolin-1-yl]methyl]besylic acid Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C(=O)NCCO)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

C1CN(N=C1C(=O)NCCO)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C13H17N3O5S/c17-8-6-14-13(18)11-5-7-16(15-11)9-10-3-1-2-4-12(10)22(19,20)21/h1-4,17H,5-9H2,(H,14,18)(H,19,20,21)