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

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] benzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] benzoate CAS Name: benzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] benzoate Traditional Name: benzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S/c1-16-9-14-21(15-17(16)2)28(25,26)23(3)19-10-12-20(13-11-19)27-22(24)18-7-5-4-6-8-18/h4-15H,1-3H3