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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C15H19ClN2O5S/c1-17(2)14(19)10-23-15(20)12-9-11(5-6-13(12)16)24(21,22)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3