1-[4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(2-nitrobenzyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-12(18)15-7-4-8-16(10-9-15)23(21,22)11-13-5-2-3-6-14(13)17(19)20/h2-3,5-6H,4,7-11H2,1H3