3-[3-[3-(3-chlorophenyl)propyl-methylsulfonyl-amino]propyl]benzoic acid

Systemtic Name: 3-[3-[3-(3-chlorophenyl)propyl-methylsulfonyl-amino]propyl]benzoic acid Openeye Name: 3-[3-[3-(3-chlorophenyl)propyl-methylsulfonyl-amino]propyl]benzoic acid CAS Name: 3-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]benzoic acid IUPAC Name: 3-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]benzoic acid Traditional Name: 3-[3-[3-(3-chlorophenyl)propyl-mesyl-amino]propyl]benzoic acid Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H24ClNO4S/c1-27(25,26)22(13-5-9-17-7-3-11-19(21)15-17)12-4-8-16-6-2-10-18(14-16)20(23)24/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3,(H,23,24)