[5-[[2,2-dimethoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]-1,3-benzodioxol-4-yl] benzoate

Systemtic Name: [5-[[2,2-dimethoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]-1,3-benzodioxol-4-yl] benzoate Openeye Name: [5-[[2,2-dimethoxyethyl(p-tolylsulfonyl)amino]methyl]-1,3-benzodioxol-4-yl] benzoate CAS Name: benzoic acid [5-[[2,2-dimethoxyethyl-(4-methylphenyl)sulfonylamino]methyl]-1,3-benzodioxol-4-yl] ester IUPAC Name: [5-[[2,2-dimethoxyethyl-(4-methylphenyl)sulfonylamino]methyl]-1,3-benzodioxol-4-yl] benzoate Traditional Name: benzoic acid [5-[[2,2-dimethoxyethyl(tosyl)amino]methyl]-1,3-benzodioxol-4-yl] ester Formula: C26H27NO8S MolecularWeight: 513.55948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C3=C(C=C2)OCO3)OC(=O)C4=CC=CC=C4)CC(OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C3=C(C=C2)OCO3)OC(=O)C4=CC=CC=C4)CC(OC)OC

InChI

InChI=1S/C26H27NO8S/c1-18-9-12-21(13-10-18)36(29,30)27(16-23(31-2)32-3)15-20-11-14-22-25(34-17-33-22)24(20)35-26(28)19-7-5-4-6-8-19/h4-14,23H,15-17H2,1-3H3