[2-(diethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5S/c1-3-19(4-2)16(21)12-25-17(22)13-7-8-14(18)15(11-13)26(23,24)20-9-5-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3