[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-4-8-19(23)26-14-18(22)20-16-10-9-15(2)17(13-16)27(24,25)21-11-6-5-7-12-21/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,20,22)