tert-butyl N-[3-(2-azanyl-5-chloranyl-3-oxidanyl-4-sulfamoyl-phenyl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(2-azanyl-5-chloranyl-3-oxidanyl-4-sulfamoyl-phenyl)propyl]carbamate Openeye Name: tert-butyl N-[3-(2-amino-5-chloro-3-hydroxy-4-sulfamoyl-phenyl)propyl]carbamate CAS Name: N-[3-(2-amino-5-chloro-3-hydroxy-4-sulfamoylphenyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2-amino-5-chloro-3-hydroxy-4-sulfamoylphenyl)propyl]carbamate Traditional Name: N-[3-(2-amino-5-chloro-3-hydroxy-4-sulfamoyl-phenyl)propyl]carbamic acid tert-butyl ester Formula: C14H22ClN3O5S MolecularWeight: 379.85958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC1=CC(=C(C(=C1N)O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC1=CC(=C(C(=C1N)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H22ClN3O5S/c1-14(2,3)23-13(20)18-6-4-5-8-7-9(15)12(24(17,21)22)11(19)10(8)16/h7,19H,4-6,16H2,1-3H3,(H,18,20)(H2,17,21,22)