5-[3-[2-(3-chlorophenyl)sulfanylethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-(3-chlorophenyl)sulfanylethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(3-chlorophenyl)sulfanylethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-[(3-chlorophenyl)thio]ethyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(3-chlorophenyl)sulfanylethyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-[(3-chlorophenyl)thio]ethyl-mesyl-amino]propyl]-2-thenoic acid Formula: C17H20ClNO4S3 MolecularWeight: 433.993

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCSC2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCSC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClNO4S3/c1-26(22,23)19(10-11-24-15-5-2-4-13(18)12-15)9-3-6-14-7-8-16(25-14)17(20)21/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,20,21)