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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H27NO4S2/c1-3-4-6-16-8-10-17(11-9-16)15-21(27(2,24)25)14-5-7-18-12-13-19(26-18)20(22)23/h8-13H,3-7,14-15H2,1-2H3,(H,22,23)