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

Systemtic Name: 2-[[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonyl-methyl-amino]benzoic acid Openeye Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-oxo-ethoxy]-4-methyl-phenyl]sulfonyl-methyl-amino]benzoic acid CAS Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonyl-methylamino]benzoic acid IUPAC Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonyl-methylamino]benzoic acid Traditional Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-keto-ethoxy]-4-methyl-phenyl]sulfonyl-methyl-amino]benzoic acid Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N(C)C3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N(C)C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C23H27ClN2O6S/c1-15-12-18(24)21(13-20(15)32-14-22(27)25-16-8-4-3-5-9-16)33(30,31)26(2)19-11-7-6-10-17(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14H2,1-2H3,(H,25,27)(H,28,29)