tert-butyl 4-[6-chloranyl-3-(cyclobutylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-chloranyl-3-(cyclobutylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[6-chloro-3-[[(cyclobutylamino)-oxomethyl]amino]-2-hydroxyphenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxyphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C20H29ClN4O6S MolecularWeight: 488.98546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3CCC3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3CCC3)Cl

InChI

InChI=1S/C20H29ClN4O6S/c1-20(2,3)31-19(28)24-9-11-25(12-10-24)32(29,30)17-14(21)7-8-15(16(17)26)23-18(27)22-13-5-4-6-13/h7-8,13,26H,4-6,9-12H2,1-3H3,(H2,22,23,27)