2-[[4-[[5-(hydroxymethyl)-3-propyl-1H-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[[5-(hydroxymethyl)-3-propyl-1H-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[[5-(hydroxymethyl)-3-propyl-1H-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[[5-(hydroxymethyl)-3-propyl-1H-pyrazol-4-yl]methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[[5-(hydroxymethyl)-3-propyl-1H-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[(5-methylol-3-propyl-1H-pyrazol-4-yl)methyl]phenyl]carbamoyl]besylic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)CO

Isomeric SMILES

CCCC1=NNC(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)CO

InChI

InChI=1S/C21H23N3O5S/c1-2-5-18-17(19(13-25)24-23-18)12-14-8-10-15(11-9-14)22-21(26)16-6-3-4-7-20(16)30(27,28)29/h3-4,6-11,25H,2,5,12-13H2,1H3,(H,22,26)(H,23,24)(H,27,28,29)