2-[5-chloranyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methyl-phenyl]sulfanylethanoic acid; 2,6-dimethylpiperidine

Systemtic Name: 2-[5-chloranyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methyl-phenyl]sulfanylethanoic acid; 2,6-dimethylpiperidine Openeye Name: 2-[5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methyl-phenyl]sulfanylacetic acid; 2,6-dimethylpiperidine CAS Name: 2-[[5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methylphenyl]thio]acetic acid; 2,6-dimethylpiperidine IUPAC Name: 2-[5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methylphenyl]sulfanylacetic acid; 2,6-dimethylpiperidine Traditional Name: 2-[[5-chloro-2-(2-imidazolin-2-ylsulfamoyl)-4-methyl-phenyl]thio]acetic acid; 2,6-lupetidine Formula: C19H29ClN4O4S2 MolecularWeight: 477.04096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1)C.CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NCCN2

Isomeric SMILES

CC1CCCC(N1)C.CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NCCN2

InChI

InChI=1S/C12H14ClN3O4S2.C7H15N/c1-7-4-10(9(5-8(7)13)21-6-11(17)18)22(19,20)16-12-14-2-3-15-12;1-6-4-3-5-7(2)8-6/h4-5H,2-3,6H2,1H3,(H,17,18)(H2,14,15,16);6-8H,3-5H2,1-2H3