2-morpholin-4-yl-5-(3-phenylmethoxypiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-morpholin-4-yl-5-(3-phenylmethoxypiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-[(3-benzyloxy-1-piperidyl)sulfonyl]-2-morpholino-benzoic acid CAS Name: 2-(4-morpholinyl)-5-[(3-phenylmethoxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-morpholin-4-yl-5-(3-phenylmethoxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 5-(3-benzoxypiperidino)sulfonyl-2-morpholino-benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O6S/c26-23(27)21-15-20(8-9-22(21)24-11-13-30-14-12-24)32(28,29)25-10-4-7-19(16-25)31-17-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2,(H,26,27)