[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N2O5S/c1-13(17(21)19-14-9-10-14)25-18(22)15-7-3-4-8-16(15)26(23,24)20-11-5-2-6-12-20/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,19,21)/t13-/m1/s1