tert-butyl 4-[3-(cyclopropylmethylsulfamoyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(cyclopropylmethylsulfamoyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(cyclopropylmethylsulfamoyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(cyclopropylmethylsulfamoyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(cyclopropylmethylsulfamoyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(cyclopropylmethylsulfamoyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CC3

InChI

InChI=1S/C20H29N3O5S/c1-20(2,3)28-19(25)23-11-9-22(10-12-23)18(24)16-5-4-6-17(13-16)29(26,27)21-14-15-7-8-15/h4-6,13,15,21H,7-12,14H2,1-3H3