tert-butyl 4-[[methyl-[6-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[methyl-[6-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[6-(4-sulfamoylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-(4-sulfamoylanilino)-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-(4-sulfamoylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[6-(4-sulfamoylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32N6O4S MolecularWeight: 476.59228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H32N6O4S/c1-22(2,3)32-21(29)28-11-9-16(10-12-28)14-27(4)20-13-19(24-15-25-20)26-17-5-7-18(8-6-17)33(23,30)31/h5-8,13,15-16H,9-12,14H2,1-4H3,(H2,23,30,31)(H,24,25,26)