3-[3-[methylsulfonyl-[2-(2-phenylphenoxy)ethyl]amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-[methylsulfonyl-[2-(2-phenylphenoxy)ethyl]amino]propyl]thiophene-2-carboxylic acid Openeye Name: 3-[3-[methylsulfonyl-[2-(2-phenylphenoxy)ethyl]amino]propyl]thiophene-2-carboxylic acid CAS Name: 3-[3-[methylsulfonyl-[2-(2-phenylphenoxy)ethyl]amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-[methylsulfonyl-[2-(2-phenylphenoxy)ethyl]amino]propyl]thiophene-2-carboxylic acid Traditional Name: 3-[3-[mesyl-[2-(2-phenylphenoxy)ethyl]amino]propyl]-2-thenoic acid Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=C(SC=C1)C(=O)O)CCOC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CCCC1=C(SC=C1)C(=O)O)CCOC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C23H25NO5S2/c1-31(27,28)24(14-7-10-19-13-17-30-22(19)23(25)26)15-16-29-21-12-6-5-11-20(21)18-8-3-2-4-9-18/h2-6,8-9,11-13,17H,7,10,14-16H2,1H3,(H,25,26)