3-methyl-5-(4-methylsulfonylphenyl)-1-(1,3,4-thiadiazol-2-ylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(1,3,4-thiadiazol-2-ylamino)cyclohexane-1-carboxylic acid Openeye Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic acid CAS Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(1,3,4-thiadiazol-2-ylamino)-1-cyclohexanecarboxylic acid IUPAC Name: 3-methyl-5-(4-methylsulfonylphenyl)-1-(1,3,4-thiadiazol-2-ylamino)cyclohexane-1-carboxylic acid Traditional Name: 3-(4-mesylphenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic acid Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C(=O)O)NC2=NN=CS2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CC(CC(C1)(C(=O)O)NC2=NN=CS2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O4S2/c1-11-7-13(12-3-5-14(6-4-12)26(2,23)24)9-17(8-11,15(21)22)19-16-20-18-10-25-16/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,20)(H,21,22)