[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2S)-1-besylpipecolinic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O7S/c25-21(23-13-16-9-10-19-20(12-16)31-15-30-19)14-29-22(26)18-8-4-5-11-24(18)32(27,28)17-6-2-1-3-7-17/h1-3,6-7,9-10,12,18H,4-5,8,11,13-15H2,(H,23,25)/t18-/m0/s1