1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-4-nitrophenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]piperazine Traditional Name: 1-besyl-4-[3-[4-(2-methoxyphenyl)piperazino]-4-nitro-phenyl]piperazine Formula: C27H31N5O5S MolecularWeight: 537.63054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

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