4-[5-[aminocarbonyl(butyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-[aminocarbonyl(butyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-[butyl(carbamoyl)amino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-[butyl(carbamoyl)amino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-[butyl(carbamoyl)amino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-[butyl(carbamoyl)amino]-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CCCCN(C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C14H18N4O5S/c1-2-3-8-17(14(15)20)12-9-13(19)18(16-12)10-4-6-11(7-5-10)24(21,22)23/h4-7,9,16H,2-3,8H2,1H3,(H2,15,20)(H,21,22,23)