(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-23(2)30(27,28)19-13-17(9-10-18(19)22)21(26)29-14-15-5-7-16(8-6-15)20(25)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3