5-[3-[3-(3-chloranyl-5-methoxy-phenoxy)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-chloranyl-5-methoxy-phenoxy)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chloro-5-methoxy-phenoxy)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chloro-5-methoxyphenoxy)propyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chloro-5-methoxyphenoxy)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chloro-5-methoxy-phenoxy)propyl-mesyl-amino]propyl]-2-thenoic acid Formula: C19H24ClNO6S2 MolecularWeight: 461.97996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)Cl)OCCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1)Cl)OCCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H24ClNO6S2/c1-26-15-11-14(20)12-16(13-15)27-10-4-9-21(29(2,24)25)8-3-5-17-6-7-18(28-17)19(22)23/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,23)