tert-butyl 4-(3-azanyl-6-chloranyl-2-oxidanyl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanyl-6-chloranyl-2-oxidanyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-6-chloro-2-hydroxy-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(3-amino-6-chloro-2-hydroxyphenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-6-chloro-2-hydroxyphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(3-amino-6-chloro-2-hydroxy-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C15H22ClN3O5S MolecularWeight: 391.87028

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O5S/c1-15(2,3)24-14(21)18-6-8-19(9-7-18)25(22,23)13-10(16)4-5-11(17)12(13)20/h4-5,20H,6-9,17H2,1-3H3