(4-nitrophenyl) 4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: (4-nitrophenyl) 4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-brosyl-1,4-diazepane-1-carboxylic acid (4-nitrophenyl) ester Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O6S/c19-14-2-8-17(9-3-14)29(26,27)21-11-1-10-20(12-13-21)18(23)28-16-6-4-15(5-7-16)22(24)25/h2-9H,1,10-13H2