[2-(butylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-4-10-20-18(22)14-26-19(23)16-9-8-15(2)17(13-16)27(24,25)21-11-6-5-7-12-21/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,20,22)