1-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazino]ethanone Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-14-4-3-7-21(13-14)28(26,27)16-5-6-17(18(12-16)22(24)25)20-10-8-19(9-11-20)15(2)23/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1