tert-butyl 4-[[(2-nitro-4-sulfamoyl-phenyl)amino]methyl]-4-phenylsulfanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-nitro-4-sulfamoyl-phenyl)amino]methyl]-4-phenylsulfanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-nitro-4-sulfamoyl-anilino)methyl]-4-phenylsulfanyl-piperidine-1-carboxylate CAS Name: 4-[(2-nitro-4-sulfamoylanilino)methyl]-4-(phenylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-nitro-4-sulfamoylanilino)methyl]-4-phenylsulfanylpiperidine-1-carboxylate Traditional Name: 4-[(2-nitro-4-sulfamoyl-anilino)methyl]-4-(phenylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O6S2/c1-22(2,3)33-21(28)26-13-11-23(12-14-26,34-17-7-5-4-6-8-17)16-25-19-10-9-18(35(24,31)32)15-20(19)27(29)30/h4-10,15,25H,11-14,16H2,1-3H3,(H2,24,31,32)