[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-methylsulfanylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-methylsulfanylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(methylthio)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-methylsulfanylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(methylthio)phenyl]carbamoyl]phenyl] ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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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)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H21NO4S2/c1-15-7-8-16(2)21(13-15)29(25,26)27-19-11-9-17(10-12-19)22(24)23-18-5-4-6-20(14-18)28-3/h4-14H,1-3H3,(H,23,24)