2-[(1-octoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[(1-octoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(1-benzyl-2-octoxy-2-oxo-ethyl)carbamoyl]benzenesulfonic acid CAS Name: 2-[[(1-octoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(1-octoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(1-benzyl-2-keto-2-octoxy-ethyl)carbamoyl]besylic acid Formula: C24H31NO6S MolecularWeight: 461.57104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C24H31NO6S/c1-2-3-4-5-6-12-17-31-24(27)21(18-19-13-8-7-9-14-19)25-23(26)20-15-10-11-16-22(20)32(28,29)30/h7-11,13-16,21H,2-6,12,17-18H2,1H3,(H,25,26)(H,28,29,30)