tert-butyl N-[5-[(2-nitro-3-sulfamoyl-phenyl)amino]-6-phenylsulfanyl-hexyl]carbamate

Systemtic Name: tert-butyl N-[5-[(2-nitro-3-sulfamoyl-phenyl)amino]-6-phenylsulfanyl-hexyl]carbamate Openeye Name: tert-butyl N-[5-(2-nitro-3-sulfamoyl-anilino)-6-phenylsulfanyl-hexyl]carbamate CAS Name: N-[5-(2-nitro-3-sulfamoylanilino)-6-(phenylthio)hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-nitro-3-sulfamoylanilino)-6-phenylsulfanylhexyl]carbamate Traditional Name: N-[5-(2-nitro-3-sulfamoyl-anilino)-6-(phenylthio)hexyl]carbamic acid tert-butyl ester Formula: C23H32N4O6S2 MolecularWeight: 524.65338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(CSC1=CC=CC=C1)NC2=C(C(=CC=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(CSC1=CC=CC=C1)NC2=C(C(=CC=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O6S2/c1-23(2,3)33-22(28)25-15-8-7-10-17(16-34-18-11-5-4-6-12-18)26-19-13-9-14-20(35(24,31)32)21(19)27(29)30/h4-6,9,11-14,17,26H,7-8,10,15-16H2,1-3H3,(H,25,28)(H2,24,31,32)