[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(4-methoxyphenyl)-1-pyrrolidinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl] ester Formula: C24H22N2O7S MolecularWeight: 482.50568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O7S/c1-32-20-11-7-17(8-12-20)23-6-3-15-25(23)24(27)18-9-13-21(14-10-18)33-34(30,31)22-5-2-4-19(16-22)26(28)29/h2,4-5,7-14,16,23H,3,6,15H2,1H3