[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

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