[4-[2-(4-methoxyphenoxy)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(4-methoxyphenoxy)ethyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(4-methoxyphenoxy)ethyl-methyl-carbamoyl]phenyl] ester Formula: C23H22N2O8S MolecularWeight: 486.49438

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O8S/c1-24(14-15-32-20-12-10-19(31-2)11-13-20)23(26)17-6-8-21(9-7-17)33-34(29,30)22-5-3-4-18(16-22)25(27)28/h3-13,16H,14-15H2,1-2H3