[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid [(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C24H34N2O7S MolecularWeight: 494.60096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H34N2O7S/c1-17-6-10-25(11-7-17)23(27)18(2)33-24(28)19-8-12-26(13-9-19)34(29,30)20-4-5-21-22(16-20)32-15-3-14-31-21/h4-5,16-19H,3,6-15H2,1-2H3/t18-/m0/s1