2-[(3-chlorophenyl)carbonyl-[4-(sulfomethyl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[(3-chlorophenyl)carbonyl-[4-(sulfomethyl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(3-chlorobenzoyl)-4-(sulfomethyl)anilino]acetic acid CAS Name: 2-[N-[(3-chlorophenyl)-oxomethyl]-4-(sulfomethyl)anilino]acetic acid IUPAC Name: 2-[N-(3-chlorobenzoyl)-4-(sulfomethyl)anilino]acetic acid Traditional Name: 2-[N-(3-chlorobenzoyl)-4-(sulfomethyl)anilino]acetic acid Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)N(CC(=O)O)C2=CC=C(C=C2)CS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)N(CC(=O)O)C2=CC=C(C=C2)CS(=O)(=O)O

InChI

InChI=1S/C16H14ClNO6S/c17-13-3-1-2-12(8-13)16(21)18(9-15(19)20)14-6-4-11(5-7-14)10-25(22,23)24/h1-8H,9-10H2,(H,19,20)(H,22,23,24)