[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H31N3O7S/c1-2-31-22(28)23-20(26)16-32-21(27)17-9-10-18(24-11-5-3-6-12-24)19(15-17)33(29,30)25-13-7-4-8-14-25/h9-10,15H,2-8,11-14,16H2,1H3,(H,23,26,28)