[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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