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4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-2-one

4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-2-one

Systemtic Name:4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-2-one
Openeye Name:4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-2-one
CAS Name:4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-2-piperazinone
IUPAC Name:4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-2-one
Traditional Name:4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-2-one
Formula: C16H22N4O5S
MolecularWeight: 382.43468
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]


InChI

InChI=1S/C16H22N4O5S/c21-16-12-18(10-7-17-16)14-6-5-13(11-15(14)20(22)23)26(24,25)19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10,12H2,(H,17,21)


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