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

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-14(2)15(3)20-18(22)13-26-19(23)16-8-7-9-17(12-16)27(24,25)21-10-5-4-6-11-21/h7-9,12,14-15H,4-6,10-11,13H2,1-3H3,(H,20,22)