1-methyl-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine

Systemtic Name: 1-methyl-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine Openeye Name: 1-methyl-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine CAS Name: 1-methyl-4-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]piperazine IUPAC Name: 1-methyl-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-[5-(4-mesylpiperazino)-2-nitro-phenyl]-4-methyl-piperazine Formula: C16H25N5O4S MolecularWeight: 383.4658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O4S/c1-17-5-7-19(8-6-17)16-13-14(3-4-15(16)21(22)23)18-9-11-20(12-10-18)26(2,24)25/h3-4,13H,5-12H2,1-2H3