[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-methylpentanoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-methylpentanoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-15(2)9-10-19(23)26-14-18(22)20-16-7-6-8-17(13-16)27(24,25)21-11-4-3-5-12-21/h6-8,13,15H,3-5,9-12,14H2,1-2H3,(H,20,22)