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

Systemtic Name: tert-butyl 4-[3-(methylsulfonylamino)-4-nitro-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(methanesulfonamido)-4-nitro-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(methanesulfonamido)-4-nitrophenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(methanesulfonamido)-4-nitrophenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(methanesulfonamido)-4-nitro-phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H26N4O6S MolecularWeight: 414.47654

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O6S/c1-17(2,3)27-16(22)20-9-5-8-19(10-11-20)13-6-7-15(21(23)24)14(12-13)18-28(4,25)26/h6-7,12,18H,5,8-11H2,1-4H3