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

Systemtic Name: 1-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]piperazine CAS Name: 1-[5-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine Traditional Name: 1-benzyl-4-[5-[4-(4-fluorophenyl)sulfonylpiperazino]-2-nitro-phenyl]piperazine Formula: C27H30FN5O4S MolecularWeight: 539.621603

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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=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN5O4S/c28-23-6-9-25(10-7-23)38(36,37)32-18-16-30(17-19-32)24-8-11-26(33(34)35)27(20-24)31-14-12-29(13-15-31)21-22-4-2-1-3-5-22/h1-11,20H,12-19,21H2