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

Systemtic Name: 2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoic acid Openeye Name: 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 2-methyl-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid IUPAC Name: 2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoic acid Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-5-mesyl-2-methyl-benzoic acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O6S/c1-12-10-15(16(28(5,25)26)11-14(12)17(22)23)21-8-6-13(7-9-21)20-18(24)27-19(2,3)4/h10-11,13H,6-9H2,1-5H3,(H,20,24)(H,22,23)