[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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