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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27ClN2O5S/c1-3-7-14(2)21-18(23)13-27-19(24)15-8-9-16(20)17(12-15)28(25,26)22-10-5-4-6-11-22/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,21,23)