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

Systemtic Name: 1-(4-methoxyphenyl)-4-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]piperazine Openeye Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[5-(4-besylpiperazino)-2-nitro-phenyl]-4-(4-methoxyphenyl)piperazine Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O5S/c1-37-24-10-7-22(8-11-24)28-13-15-30(16-14-28)27-21-23(9-12-26(27)32(33)34)29-17-19-31(20-18-29)38(35,36)25-5-3-2-4-6-25/h2-12,21H,13-20H2,1H3