2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propyl]thiazole-4-carboxylic acid CAS Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonylamino]propyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonylamino]propyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-[(4-butylbenzyl)-mesyl-amino]propyl]thiazole-4-carboxylic acid Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCC2=NC(=CS2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCC2=NC(=CS2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H26N2O4S2/c1-3-4-6-15-8-10-16(11-9-15)13-21(27(2,24)25)12-5-7-18-20-17(14-26-18)19(22)23/h8-11,14H,3-7,12-13H2,1-2H3,(H,22,23)