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

Systemtic Name: tert-butyl 4-[[6-chloranyl-3-(cyclobutylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylamino]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxy-phenyl]sulfonylamino]piperazine-1-carboxylate CAS Name: 4-[[6-chloro-3-[[(cyclobutylamino)-oxomethyl]amino]-2-hydroxyphenyl]sulfonylamino]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxyphenyl]sulfonylamino]piperazine-1-carboxylate Traditional Name: 4-[[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxy-phenyl]sulfonylamino]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30ClN5O6S MolecularWeight: 504.0001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN5O6S/c1-20(2,3)32-19(29)25-9-11-26(12-10-25)24-33(30,31)17-14(21)7-8-15(16(17)27)23-18(28)22-13-5-4-6-13/h7-8,13,24,27H,4-6,9-12H2,1-3H3,(H2,22,23,28)