[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-methylsulfanylbenzoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-methylsulfanylbenzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C23H23NO4S2/c1-16-9-14-20(15-17(16)2)30(26,27)24(3)18-10-12-19(13-11-18)28-23(25)21-7-5-6-8-22(21)29-4/h5-15H,1-4H3