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

Systemtic Name: [4-[[4-(methoxymethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(methoxymethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[4-(methoxymethyl)phenyl]methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(methoxymethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(methoxymethyl)benzyl]carbamoyl]phenyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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