(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C17H21ClN2O6S MolecularWeight: 416.87644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H21ClN2O6S/c18-14-4-3-13(11-15(14)27(23,24)20-5-1-2-6-20)17(22)26-12-16(21)19-7-9-25-10-8-19/h3-4,11H,1-2,5-10,12H2