2-[(3-chlorophenyl)methylsulfanyl]-4-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[(3-chlorophenyl)methylthio]-4-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-[(3-chlorobenzyl)thio]-4-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(=C(C=C2)C(=O)O)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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