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

Systemtic Name: 3-[[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[2-chloro-5-[2-(cyclohexylamino)-2-oxo-ethoxy]-4-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[2-chloro-5-[2-(cyclohexylamino)-2-keto-ethoxy]-4-methyl-phenyl]sulfonylamino]benzoic acid Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-14-10-18(23)20(32(29,30)25-17-9-5-6-15(11-17)22(27)28)12-19(14)31-13-21(26)24-16-7-3-2-4-8-16/h5-6,9-12,16,25H,2-4,7-8,13H2,1H3,(H,24,26)(H,27,28)