[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(veratrylcarbamoyl)phenyl] ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H25NO6S/c1-16-5-6-17(2)23(13-16)32(27,28)31-20-10-8-19(9-11-20)24(26)25-15-18-7-12-21(29-3)22(14-18)30-4/h5-14H,15H2,1-4H3,(H,25,26)