[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2C)C)C

InChI

InChI=1S/C21H29N3O5S/c1-7-24(8-2)30(27,28)17-12-18(23(6)13-17)21(26)29-16(5)20(25)22-19-14(3)10-9-11-15(19)4/h9-13,16H,7-8H2,1-6H3,(H,22,25)