4-[[2-[[(4-chlorophenyl)sulfonylamino]methyl]-3-oxidanyl-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[[(4-chlorophenyl)sulfonylamino]methyl]-3-oxidanyl-propanoyl]amino]benzoic acid Openeye Name: 4-[[2-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-propanoyl]amino]benzoic acid CAS Name: 4-[[2-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[[2-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxypropanoyl]amino]benzoic acid Traditional Name: 4-[[2-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-propanoyl]amino]benzoic acid Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)CO

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)CO

InChI

InChI=1S/C17H17ClN2O6S/c18-13-3-7-15(8-4-13)27(25,26)19-9-12(10-21)16(22)20-14-5-1-11(2-6-14)17(23)24/h1-8,12,19,21H,9-10H2,(H,20,22)(H,23,24)