[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4-methoxyphenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(p-anisylcarbamoyl)phenyl] ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S/c1-29-18-9-5-15(6-10-18)14-22-21(24)16-7-11-19(12-8-16)30-31(27,28)20-4-2-3-17(13-20)23(25)26/h2-13H,14H2,1H3,(H,22,24)