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

Systemtic Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]-4-methylsulfonyl-piperazine CAS Name: 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-4-nitrophenyl]-4-methylsulfonylpiperazine IUPAC Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]-4-methylsulfonylpiperazine Traditional Name: 1-mesyl-4-[3-[4-(2-methoxyphenyl)piperazino]-4-nitro-phenyl]piperazine Formula: C22H29N5O5S MolecularWeight: 475.56116

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O5S/c1-32-22-6-4-3-5-20(22)24-9-11-25(12-10-24)21-17-18(7-8-19(21)27(28)29)23-13-15-26(16-14-23)33(2,30)31/h3-8,17H,9-16H2,1-2H3