3-[1-(methoxycarbonylamino)propan-2-yl]-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[1-(methoxycarbonylamino)propan-2-yl]-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-[2-(methoxycarbonylamino)-1-methyl-ethyl]-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-[1-(methoxycarbonylamino)propan-2-yl]-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-[1-(methoxycarbonylamino)propan-2-yl]-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-[2-(carbomethoxyamino)-1-methyl-ethyl]-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC)C1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)OC)C1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O7S/c1-11(10-20-18(23)26-2)14-8-12(17(21)22)9-15(28(19,24)25)16(14)27-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25)