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

Systemtic Name: 1-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]-4-benzyl-piperazine CAS Name: 1-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-4-benzylpiperazine Traditional Name: 1-benzyl-4-[5-(4-besylpiperazino)-2-nitro-phenyl]piperazine Formula: C27H31N5O4S MolecularWeight: 521.63114

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4S/c33-32(34)26-12-11-24(29-17-19-31(20-18-29)37(35,36)25-9-5-2-6-10-25)21-27(26)30-15-13-28(14-16-30)22-23-7-3-1-4-8-23/h1-12,21H,13-20,22H2