[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C25H27NO7S MolecularWeight: 485.54938

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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(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO7S/c1-16-7-12-21(13-17(16)2)34(28,29)26(3)19-8-10-20(11-9-19)33-25(27)18-14-22(30-4)24(32-6)23(15-18)31-5/h7-15H,1-6H3