2-[5-chloranyl-4-methyl-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanylethanoic acid; 2,6-dimethylpiperidine

Systemtic Name: 2-[5-chloranyl-4-methyl-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanylethanoic acid; 2,6-dimethylpiperidine Openeye Name: 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonyl-phenyl]sulfanylacetic acid; 2,6-dimethylpiperidine CAS Name: 2-[[5-chloro-4-methyl-2-[(2-oxo-1-imidazolidinyl)sulfonyl]phenyl]thio]acetic acid; 2,6-dimethylpiperidine IUPAC Name: 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylacetic acid; 2,6-dimethylpiperidine Traditional Name: 2-[[5-chloro-2-(2-ketoimidazolidin-1-yl)sulfonyl-4-methyl-phenyl]thio]acetic acid; 2,6-lupetidine Formula: C19H28ClN3O5S2 MolecularWeight: 478.02572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1)C.CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)N2CCNC2=O

Isomeric SMILES

CC1CCCC(N1)C.CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)N2CCNC2=O

InChI

InChI=1S/C12H13ClN2O5S2.C7H15N/c1-7-4-10(9(5-8(7)13)21-6-11(16)17)22(19,20)15-3-2-14-12(15)18;1-6-4-3-5-7(2)8-6/h4-5H,2-3,6H2,1H3,(H,14,18)(H,16,17);6-8H,3-5H2,1-2H3