3-[3-chloranylpropylsulfonyl-[3-(3-chlorophenyl)propyl]amino]-4-propyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[3-chloranylpropylsulfonyl-[3-(3-chlorophenyl)propyl]amino]-4-propyl-thiophene-2-carboxylic acid Openeye Name: 3-[3-(3-chlorophenyl)propyl-(3-chloropropylsulfonyl)amino]-4-propyl-thiophene-2-carboxylic acid CAS Name: 3-[3-(3-chlorophenyl)propyl-(3-chloropropylsulfonyl)amino]-4-propyl-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(3-chlorophenyl)propyl-(3-chloropropylsulfonyl)amino]-4-propylthiophene-2-carboxylic acid Traditional Name: 3-[3-(3-chlorophenyl)propyl-(3-chloropropylsulfonyl)amino]-4-propyl-2-thenoic acid Formula: C20H25Cl2NO4S2 MolecularWeight: 478.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CSC(=C1N(CCCC2=CC(=CC=C2)Cl)S(=O)(=O)CCCCl)C(=O)O

Isomeric SMILES

CCCC1=CSC(=C1N(CCCC2=CC(=CC=C2)Cl)S(=O)(=O)CCCCl)C(=O)O

InChI

InChI=1S/C20H25Cl2NO4S2/c1-2-6-16-14-28-19(20(24)25)18(16)23(29(26,27)12-5-10-21)11-4-8-15-7-3-9-17(22)13-15/h3,7,9,13-14H,2,4-6,8,10-12H2,1H3,(H,24,25)