3-(octadecanoylamino)-5-(5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 3-(octadecanoylamino)-5-(5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(octadecanoylamino)-5-(5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(1-oxooctadecylamino)-5-(5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 3-(octadecanoylamino)-5-(5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(5-keto-2-pyrazolin-1-yl)-5-stearamido-besylic acid Formula: C27H43N3O5S MolecularWeight: 521.71242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)N2C(=O)CC=N2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)N2C(=O)CC=N2)S(=O)(=O)O

InChI

InChI=1S/C27H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)29-23-20-24(30-27(32)18-19-28-30)22-25(21-23)36(33,34)35/h19-22H,2-18H2,1H3,(H,29,31)(H,33,34,35)