[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C26H26N2O7S/c1-16-5-4-6-21(11-16)28-36(31,32)24-13-20(9-7-17(24)2)26(30)35-18(3)25(29)27-14-19-8-10-22-23(12-19)34-15-33-22/h4-13,18,28H,14-15H2,1-3H3,(H,27,29)