2-[carboxymethyl-[[4-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]methyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[[4-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]methyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[[4-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]methyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[4-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[[4-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]methyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[4-[(4-sulfamoylbenzyl)carbamoyl]benzyl]amino]acetic acid Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)CN(CC(=O)O)CC(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)CN(CC(=O)O)CC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H21N3O7S/c20-30(28,29)16-7-3-13(4-8-16)9-21-19(27)15-5-1-14(2-6-15)10-22(11-17(23)24)12-18(25)26/h1-8H,9-12H2,(H,21,27)(H,23,24)(H,25,26)(H2,20,28,29)