[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C23H32N2O7S MolecularWeight: 480.57438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H32N2O7S/c26-22(24-15-17-4-2-1-3-5-17)16-32-23(27)18-8-10-25(11-9-18)33(28,29)19-6-7-20-21(14-19)31-13-12-30-20/h6-7,14,17-18H,1-5,8-13,15-16H2,(H,24,26)