[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-isopropoxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[(4-propan-2-yloxyphenyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-isopropoxybenzyl)carbamoyl]phenyl] ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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