[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[[2-(2-methoxyphenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl] ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3OC

InChI

InChI=1S/C23H22N2O7S/c1-16-7-10-19(25(27)28)15-22(16)33(29,30)32-20-11-8-18(9-12-20)23(26)24-14-13-17-5-3-4-6-21(17)31-2/h3-12,15H,13-14H2,1-2H3,(H,24,26)