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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-4-17(5-2)21-19(23)14-27-20(24)16-10-9-15(3)18(13-16)28(25,26)22-11-7-6-8-12-22/h9-10,13,17H,4-8,11-12,14H2,1-3H3,(H,21,23)