[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(2-methoxyphenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7S/c1-30-21-8-3-2-5-16(21)13-14-23-22(25)17-9-11-19(12-10-17)31-32(28,29)20-7-4-6-18(15-20)24(26)27/h2-12,15H,13-14H2,1H3,(H,23,25)