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

Systemtic Name: 1-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine CAS Name: 1-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-benzyl-4-[5-(4-mesylpiperazino)-2-nitro-phenyl]piperazine Formula: C22H29N5O4S MolecularWeight: 459.56176

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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)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O4S/c1-32(30,31)26-15-13-24(14-16-26)20-7-8-21(27(28)29)22(17-20)25-11-9-23(10-12-25)18-19-5-3-2-4-6-19/h2-8,17H,9-16,18H2,1H3