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

Systemtic Name: 1-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-piperazine Openeye Name: 1-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-piperazine CAS Name: 1-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]-4-phenylpiperazine IUPAC Name: 1-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-phenylpiperazine Traditional Name: 1-[5-(4-mesylpiperazino)-2-nitro-phenyl]-4-phenyl-piperazine Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O4S/c1-31(29,30)25-15-13-23(14-16-25)19-7-8-20(26(27)28)21(17-19)24-11-9-22(10-12-24)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3