methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-methylsulfonyl-5-nitro-benzoate

Systemtic Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-methylsulfonyl-5-nitro-benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-3-methylsulfonyl-5-nitro-benzoate CAS Name: 4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-3-methylsulfonyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-methylsulfonyl-5-nitrobenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-3-mesyl-5-nitro-benzoic acid methyl ester Formula: C19H27N3O8S MolecularWeight: 457.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O8S/c1-19(2,3)30-18(24)20-13-6-8-21(9-7-13)16-14(22(25)26)10-12(17(23)29-4)11-15(16)31(5,27)28/h10-11,13H,6-9H2,1-5H3,(H,20,24)