(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C18H23BrN2O6S MolecularWeight: 475.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23BrN2O6S/c1-13(17(22)20-6-2-3-7-20)27-18(23)14-4-5-15(19)16(12-14)28(24,25)21-8-10-26-11-9-21/h4-5,12-13H,2-3,6-11H2,1H3