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

Systemtic Name: 2-chloranyl-5-[2-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[(2-benzyl-1-piperidyl)sulfonyl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[2-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 5-(2-benzylpiperidin-1-yl)sulfonyl-2-chlorobenzoic acid Traditional Name: 5-(2-benzylpiperidino)sulfonyl-2-chloro-benzoic acid Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H20ClNO4S/c20-18-10-9-16(13-17(18)19(22)23)26(24,25)21-11-5-4-8-15(21)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,13,15H,4-5,8,11-12H2,(H,22,23)