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

Systemtic Name: tert-butyl 4-[[6-chloranyl-3-(cyclopentylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylamino]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxy-phenyl]sulfonylamino]piperazine-1-carboxylate CAS Name: 4-[[6-chloro-3-[[(cyclopentylamino)-oxomethyl]amino]-2-hydroxyphenyl]sulfonylamino]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxyphenyl]sulfonylamino]piperazine-1-carboxylate Traditional Name: 4-[[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxy-phenyl]sulfonylamino]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32ClN5O6S MolecularWeight: 518.02668

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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)NC3CCCC3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)NS(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3CCCC3)Cl

InChI

InChI=1S/C21H32ClN5O6S/c1-21(2,3)33-20(30)26-10-12-27(13-11-26)25-34(31,32)18-15(22)8-9-16(17(18)28)24-19(29)23-14-6-4-5-7-14/h8-9,14,25,28H,4-7,10-13H2,1-3H3,(H2,23,24,29)