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

Systemtic Name: 1-(4-methoxyphenyl)-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-[5-(4-mesylpiperazino)-2-nitro-phenyl]-4-(4-methoxyphenyl)piperazine Formula: C22H29N5O5S MolecularWeight: 475.56116

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

Isomeric SMILES

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

InChI

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