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

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] benzenesulfonate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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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)OS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S2/c1-16-9-14-21(15-17(16)2)28(23,24)22(3)18-10-12-19(13-11-18)27-29(25,26)20-7-5-4-6-8-20/h4-15H,1-3H3