[4-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4-ethoxyphenyl)methyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-ethoxyphenyl)methyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-ethoxybenzyl)-methyl-carbamoyl]phenyl] ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O7S/c1-3-31-20-11-7-17(8-12-20)16-24(2)23(26)18-9-13-21(14-10-18)32-33(29,30)22-6-4-5-19(15-22)25(27)28/h4-15H,3,16H2,1-2H3