(3,4-dimethylphenyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (3,4-dimethylphenyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (3,4-dimethylphenyl) ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3)C

InChI

InChI=1S/C21H26N2O4S/c1-15-7-8-17(13-16(15)2)27-21(24)19-14-18(28(25,26)22(3)4)9-10-20(19)23-11-5-6-12-23/h7-10,13-14H,5-6,11-12H2,1-4H3