2,4-bis(chloranyl)-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[(4-benzyl-1-piperidyl)sulfonyl]-2,4-dichloro-benzoic acid CAS Name: 2,4-dichloro-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 5-(4-benzylpiperidin-1-yl)sulfonyl-2,4-dichlorobenzoic acid Traditional Name: 5-(4-benzylpiperidino)sulfonyl-2,4-dichloro-benzoic acid Formula: C19H19Cl2NO4S MolecularWeight: 428.32946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C19H19Cl2NO4S/c20-16-12-17(21)18(11-15(16)19(23)24)27(25,26)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,23,24)