(4-nitrophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-nitrophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-nitrophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-nitrophenyl) ester Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c20-17(25-15-8-6-14(7-9-15)19(21)22)13-4-3-5-16(12-13)26(23,24)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2