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

Systemtic Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]ethanone Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-15(23)19-10-12-20(13-11-19)17-7-6-16(14-18(17)22(24)25)28(26,27)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3