[3-[(phenylmethyl)carbamoyl]phenyl] 4-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 4-methylsulfonylbenzenesulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S2/c1-29(24,25)19-10-12-20(13-11-19)30(26,27)28-18-9-5-8-17(14-18)21(23)22-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,22,23)