tert-butyl 4-[(2-azanyl-5-chloranyl-3-oxidanyl-4-sulfamoyl-phenyl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-azanyl-5-chloranyl-3-oxidanyl-4-sulfamoyl-phenyl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-amino-5-chloro-3-hydroxy-4-sulfamoyl-phenyl)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-amino-5-chloro-3-hydroxy-4-sulfamoylphenyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-amino-5-chloro-3-hydroxy-4-sulfamoylphenyl)methyl]piperidine-1-carboxylate Traditional Name: 4-(2-amino-5-chloro-3-hydroxy-4-sulfamoyl-benzyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H26ClN3O5S MolecularWeight: 419.92344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC(=C(C(=C2N)O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC(=C(C(=C2N)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H26ClN3O5S/c1-17(2,3)26-16(23)21-6-4-10(5-7-21)8-11-9-12(18)15(27(20,24)25)14(22)13(11)19/h9-10,22H,4-8,19H2,1-3H3,(H2,20,24,25)