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

Systemtic Name: [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[[(4-methoxyphenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(p-anisylcarbamoyl)phenyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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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)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H20N2O7S/c1-15-3-8-18(24(26)27)13-21(15)32(28,29)31-20-11-6-17(7-12-20)22(25)23-14-16-4-9-19(30-2)10-5-16/h3-13H,14H2,1-2H3,(H,23,25)