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

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-11(17)14-7-4-8-15(10-9-14)22(20,21)13-6-3-2-5-12(13)16(18)19/h2-3,5-6H,4,7-10H2,1H3