tert-butyl 4-[3-[methyl(methylsulfonyl)amino]-4-nitro-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[methyl(methylsulfonyl)amino]-4-nitro-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-[methyl(methylsulfonyl)amino]-4-nitro-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-[methyl(methylsulfonyl)amino]-4-nitrophenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[methyl(methylsulfonyl)amino]-4-nitrophenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-[mesyl(methyl)amino]-4-nitro-phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H28N4O6S MolecularWeight: 428.50312

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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-])N(C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S/c1-18(2,3)28-17(23)21-10-6-9-20(11-12-21)14-7-8-15(22(24)25)16(13-14)19(4)29(5,26)27/h7-8,13H,6,9-12H2,1-5H3