2-[2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(5-chloro-N-mesyl-2-methoxy-anilino)acetyl]amino]benzoic acid Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H17ClN2O6S/c1-26-15-8-7-11(18)9-14(15)20(27(2,24)25)10-16(21)19-13-6-4-3-5-12(13)17(22)23/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)