methyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C22H30N2O4S2/c1-22(2,3)16-10-12-18(13-11-16)30(26,27)24(17-8-6-5-7-9-17)14-20-23-19(15-29-20)21(25)28-4/h10-13,15,17H,5-9,14H2,1-4H3