[4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[(2R)-2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[(2R)-2-(2-furyl)-2-pyrrolidino-ethyl]carbamoyl]phenyl] ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(C1)[C@H](CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C23H23N3O7S/c27-23(24-16-21(22-7-4-14-32-22)25-12-1-2-13-25)17-8-10-19(11-9-17)33-34(30,31)20-6-3-5-18(15-20)26(28)29/h3-11,14-15,21H,1-2,12-13,16H2,(H,24,27)/t21-/m1/s1