[1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C(=O)NC)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H21ClN2O5S/c1-11(15(20)18-2)24-16(21)12-6-7-13(17)14(10-12)25(22,23)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)