[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(isopropylsulfamoyl)benzoate CAS Name: 4-(propan-2-ylsulfamoyl)benzoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate Traditional Name: 4-(isopropylsulfamoyl)benzoic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)C

InChI

InChI=1S/C21H28N2O5S/c1-13(2)22-29(26,27)18-9-7-17(8-10-18)21(25)28-12-20(24)19-11-15(5)23(14(3)4)16(19)6/h7-11,13-14,22H,12H2,1-6H3