2-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoic acid Openeye Name: 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-2-chloro-5-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoic acid Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-2-chloro-5-mesyl-benzoic acid Formula: C18H25ClN2O6S MolecularWeight: 432.9189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H25ClN2O6S/c1-18(2,3)27-17(24)20-11-5-7-21(8-6-11)14-10-13(19)12(16(22)23)9-15(14)28(4,25)26/h9-11H,5-8H2,1-4H3,(H,20,24)(H,22,23)