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

Systemtic Name: (3-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-nitrobenzyl) ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-18(26-13-14-4-3-5-16(12-14)20(22)23)15-6-8-17(9-7-15)27(24,25)19-10-1-2-11-19/h3-9,12H,1-2,10-11,13H2