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

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H30N2O6S/c1-16(2)27-13-7-10-21-19(23)15-28-20(24)17-8-6-9-18(14-17)29(25,26)22-11-4-3-5-12-22/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H,21,23)