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

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonyl-methyl-amino]benzoic acid Openeye Name: 2-[[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonyl-methyl-amino]benzoic acid CAS Name: 2-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonyl-methylamino]benzoic acid IUPAC Name: 2-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonyl-methylamino]benzoic acid Traditional Name: 2-[[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonyl-methyl-amino]benzoic acid Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)O)Cl

InChI

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