3-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 3-[(3-chlorophenyl)methylthio]-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 3-[(3-chlorobenzyl)thio]-5-piperidinosulfonyl-benzoic acid Formula: C19H20ClNO4S2 MolecularWeight: 425.9494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)SCC3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)SCC3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C19H20ClNO4S2/c20-16-6-4-5-14(9-16)13-26-17-10-15(19(22)23)11-18(12-17)27(24,25)21-7-2-1-3-8-21/h4-6,9-12H,1-3,7-8,13H2,(H,22,23)