butyl 4-[[4-(diethylsulfamoyl)-1-methyl-pyrrol-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-(diethylsulfamoyl)-1-methyl-pyrrol-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carbonyl]amino]benzoate CAS Name: 4-[[[4-(diethylsulfamoyl)-1-methyl-2-pyrrolyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate Traditional Name: 4-[[4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carbonyl]amino]benzoic acid butyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N(CC)CC

InChI

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