2-[(1-dodecoxy-1-oxidanylidene-propan-2-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[(1-dodecoxy-1-oxidanylidene-propan-2-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(2-dodecoxy-1-methyl-2-oxo-ethyl)carbamoyl]benzenesulfonic acid CAS Name: 2-[[(1-dodecoxy-1-oxopropan-2-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(1-dodecoxy-1-oxopropan-2-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(2-keto-2-lauryloxy-1-methyl-ethyl)carbamoyl]besylic acid Formula: C22H35NO6S MolecularWeight: 441.5814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)NC(=O)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)NC(=O)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C22H35NO6S/c1-3-4-5-6-7-8-9-10-11-14-17-29-22(25)18(2)23-21(24)19-15-12-13-16-20(19)30(26,27)28/h12-13,15-16,18H,3-11,14,17H2,1-2H3,(H,23,24)(H,26,27,28)