tert-butyl 4-[4-nitro-3-(phenylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-nitro-3-(phenylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(benzenesulfonamido)-4-nitro-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(benzenesulfonamido)-4-nitrophenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(benzenesulfonamido)-4-nitrophenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(benzenesulfonamido)-4-nitro-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=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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