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

Systemtic Name: 1-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]piperazine CAS Name: 1-[2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]piperazine Traditional Name: 1-benzyl-4-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]phenyl]piperazine Formula: C27H30N6O6S MolecularWeight: 566.6287

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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)C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O6S/c34-32(35)24-11-10-23(20-26(24)30-14-12-28(13-15-30)21-22-6-2-1-3-7-22)29-16-18-31(19-17-29)40(38,39)27-9-5-4-8-25(27)33(36)37/h1-11,20H,12-19,21H2