tert-butyl 4-[2-nitro-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[2-nitro-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[2-nitro-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-nitro-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-nitro-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-nitro-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-22(2,3)32-21(27)25-13-7-12-24(14-15-25)19-11-10-18(16-20(19)26(28)29)33(30,31)23-17-8-5-4-6-9-17/h4-6,8-11,16,23H,7,12-15H2,1-3H3