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

Systemtic Name: tert-butyl 4-[6-chloranyl-3-(cyclopentylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[6-chloro-3-[[(cyclopentylamino)-oxomethyl]amino]-2-hydroxyphenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxyphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C21H31ClN4O6S MolecularWeight: 503.01204

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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)NC3CCCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O6S/c1-21(2,3)32-20(29)25-10-12-26(13-11-25)33(30,31)18-15(22)8-9-16(17(18)27)24-19(28)23-14-6-4-5-7-14/h8-9,14,27H,4-7,10-13H2,1-3H3,(H2,23,24,28)