5-[3-[3-(3-chlorophenyl)propyl-pyridin-3-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propyl-pyridin-3-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propyl-(3-pyridylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propyl-(3-pyridinylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propyl-pyridin-3-ylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propyl-(3-pyridylsulfonyl)amino]propyl]-2-thenoic acid Formula: C22H23ClN2O4S2 MolecularWeight: 479.01202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H23ClN2O4S2/c23-18-7-1-5-17(15-18)6-3-13-25(31(28,29)20-9-2-12-24-16-20)14-4-8-19-10-11-21(30-19)22(26)27/h1-2,5,7,9-12,15-16H,3-4,6,8,13-14H2,(H,26,27)