[3-[(phenylmethyl)carbamoyl]phenyl] 3,4-dimethoxybenzenesulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 3,4-dimethoxybenzenesulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21NO6S/c1-27-20-12-11-19(14-21(20)28-2)30(25,26)29-18-10-6-9-17(13-18)22(24)23-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24)