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

Systemtic Name: 5-[3-[(4-butylphenyl)methyl-ethylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4-butylphenyl)methyl-ethylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(4-butylphenyl)methyl-ethylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(4-butylphenyl)methyl-ethylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(4-butylbenzyl)-esyl-amino]propyl]-2-thenoic acid Formula: C21H29NO4S2 MolecularWeight: 423.58926

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4S2/c1-3-5-7-17-9-11-18(12-10-17)16-22(28(25,26)4-2)15-6-8-19-13-14-20(27-19)21(23)24/h9-14H,3-8,15-16H2,1-2H3,(H,23,24)