1-methyl-4-[5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]sulfonyl-piperazine Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-5-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-methyl-4-[5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]phenyl]sulfonylpiperazine IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)-5-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[2-(4-benzylpiperazino)-5-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

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