1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]ethanone Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-14-5-7-21(8-6-14)28(26,27)16-3-4-17(18(13-16)22(24)25)20-11-9-19(10-12-20)15(2)23/h3-4,13-14H,5-12H2,1-2H3