tert-butyl 4-[5-(furan-2-ylmethylsulfamoyl)-2-methyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(furan-2-ylmethylsulfamoyl)-2-methyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2-furylmethylsulfamoyl)-2-methyl-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[5-(2-furanylmethylsulfamoyl)-2-methylphenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-furfurylsulfamoyl)-2-methyl-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O6S/c1-16-7-8-18(32(28,29)23-15-17-6-5-13-30-17)14-19(16)20(26)24-9-11-25(12-10-24)21(27)31-22(2,3)4/h5-8,13-14,23H,9-12,15H2,1-4H3