(4-butoxyphenyl) 4-(2-azanylethanoylamino)benzenesulfonate

Systemtic Name: (4-butoxyphenyl) 4-(2-azanylethanoylamino)benzenesulfonate Openeye Name: (4-butoxyphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzenesulfonic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate Traditional Name: 4-(glycylamino)benzenesulfonic acid (4-butoxyphenyl) ester Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

InChI

InChI=1S/C18H22N2O5S/c1-2-3-12-24-15-6-8-16(9-7-15)25-26(22,23)17-10-4-14(5-11-17)20-18(21)13-19/h4-11H,2-3,12-13,19H2,1H3,(H,20,21)