1-oxidanylidene-1-[[5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-3-yl]amino]docosane-2-sulfonic acid

Systemtic Name: 1-oxidanylidene-1-[[5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-3-yl]amino]docosane-2-sulfonic acid Openeye Name: 1-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)amino]-1-oxo-docosane-2-sulfonic acid CAS Name: 1-oxo-1-[[5-oxo-1-(phenylmethyl)-4H-pyrazol-3-yl]amino]-2-docosanesulfonic acid IUPAC Name: 1-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)amino]-1-oxodocosane-2-sulfonic acid Traditional Name: 1-[(1-benzyl-5-keto-2-pyrazolin-3-yl)amino]-1-keto-docosane-2-sulfonic acid Formula: C32H53N3O5S MolecularWeight: 591.84532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1)CC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1)CC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C32H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(41(38,39)40)32(37)33-30-26-31(36)35(34-30)27-28-23-20-19-21-24-28/h19-21,23-24,29H,2-18,22,25-27H2,1H3,(H,33,34,37)(H,38,39,40)