3-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]benzoic acid Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H15ClN2O6S/c1-9-5-12(17)14(7-13(9)25-8-15(18)20)26(23,24)19-11-4-2-3-10(6-11)16(21)22/h2-7,19H,8H2,1H3,(H2,18,20)(H,21,22)