(5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate Openeye Name: (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (5-sulfamoyl-1,2-benzoxazol-3-yl) ester IUPAC Name: (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (5-sulfamoylindoxazen-3-yl) ester Formula: C15H13N3O7S2 MolecularWeight: 411.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NOC3=C2C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NOC3=C2C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H13N3O7S2/c1-9(19)17-10-2-4-11(5-3-10)27(22,23)25-15-13-8-12(26(16,20)21)6-7-14(13)24-18-15/h2-8H,1H3,(H,17,19)(H2,16,20,21)