(3-ethanoylphenyl) 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-ethanoylphenyl) 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-acetylphenyl) 5-morpholinosulfonyl-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-pyrrolidino-benzoic acid (3-acetylphenyl) ester Formula: C23H26N2O6S MolecularWeight: 458.52734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H26N2O6S/c1-17(26)18-5-4-6-19(15-18)31-23(27)21-16-20(7-8-22(21)24-9-2-3-10-24)32(28,29)25-11-13-30-14-12-25/h4-8,15-16H,2-3,9-14H2,1H3