[4-(2-methylpropoxy)phenyl] 4-(2-azanylethanoylamino)benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

InChI

InChI=1S/C18H22N2O5S/c1-13(2)12-24-15-5-7-16(8-6-15)25-26(22,23)17-9-3-14(4-10-17)20-18(21)11-19/h3-10,13H,11-12,19H2,1-2H3,(H,20,21)