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

Systemtic Name: [4-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-phenyl-2-pyrrolidino-ethyl)carbamoyl]phenyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O6S/c29-25(26-18-24(27-15-4-5-16-27)19-7-2-1-3-8-19)20-11-13-22(14-12-20)34-35(32,33)23-10-6-9-21(17-23)28(30)31/h1-3,6-14,17,24H,4-5,15-16,18H2,(H,26,29)