[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COCCCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O6S/c1-25-12-6-9-19-17(21)14-26-18(22)15-7-5-8-16(13-15)27(23,24)20-10-3-2-4-11-20/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,19,21)