[5-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [5-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl] methanesulfonate Openeye Name: [5-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-[2-(4-nitrophenyl)ethyl]-3-pyrrolidinyl] ester IUPAC Name: [5-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl] ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(NC1)CCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CC(NC1)CCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c1-21(18,19)20-13-8-11(14-9-13)5-2-10-3-6-12(7-4-10)15(16)17/h3-4,6-7,11,13-14H,2,5,8-9H2,1H3