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

Systemtic Name: 2-[[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-oxo-ethoxy]-4-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-chloro-5-[2-(cyclohexylamino)-2-keto-ethoxy]-4-methyl-phenyl]sulfonylamino]-3-methyl-butyric acid Formula: C20H29ClN2O6S MolecularWeight: 460.97206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC(C(C)C)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC(C(C)C)C(=O)O)Cl

InChI

InChI=1S/C20H29ClN2O6S/c1-12(2)19(20(25)26)23-30(27,28)17-10-16(13(3)9-15(17)21)29-11-18(24)22-14-7-5-4-6-8-14/h9-10,12,14,19,23H,4-8,11H2,1-3H3,(H,22,24)(H,25,26)