[(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [(1S)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)NC(=O)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C18H24N2O7S/c1-12-7-4-5-10-20(12)28(24,25)15-9-6-8-14(11-15)17(22)27-13(2)16(21)19-18(23)26-3/h6,8-9,11-13H,4-5,7,10H2,1-3H3,(H,19,21,23)/t12-,13-/m0/s1