[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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