2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzoic acid Traditional Name: 5-(4-benzylpiperidino)sulfonyl-2-methoxy-benzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-26-19-8-7-17(14-18(19)20(22)23)27(24,25)21-11-9-16(10-12-21)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H,22,23)