[4-(2-thiophen-2-ylpyrrolidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(2-thiophen-2-ylpyrrolidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2-thienyl)pyrrolidine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]phenyl] ester IUPAC Name: [4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2-thienyl)pyrrolidine-1-carbonyl]phenyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H18N2O6S2/c24-21(22-12-2-6-19(22)20-7-3-13-30-20)15-8-10-17(11-9-15)29-31(27,28)18-5-1-4-16(14-18)23(25)26/h1,3-5,7-11,13-14,19H,2,6,12H2