5-[3-[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(4-tert-butylphenyl)methyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(4-tert-butylphenyl)methyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(4-tert-butylbenzyl)-mesyl-amino]propyl]-2-thenoic acid Formula: C20H27NO4S2 MolecularWeight: 409.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H27NO4S2/c1-20(2,3)16-9-7-15(8-10-16)14-21(27(4,24)25)13-5-6-17-11-12-18(26-17)19(22)23/h7-12H,5-6,13-14H2,1-4H3,(H,22,23)