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

Systemtic Name: 1-[2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine CAS Name: 1-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-benzyl-4-[5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]piperazine Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H33N5O4S/c34-33(35)27-12-11-26(21-28(27)31-15-13-29(14-16-31)22-24-7-3-1-4-8-24)30-17-19-32(20-18-30)38(36,37)23-25-9-5-2-6-10-25/h1-12,21H,13-20,22-23H2