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

Systemtic Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]piperazine CAS Name: 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-4-nitrophenyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[3-[4-(2-methoxyphenyl)piperazino]-4-nitro-phenyl]piperazine Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H33N5O5S/c1-38-28-10-6-5-9-26(28)30-13-15-31(16-14-30)27-21-24(11-12-25(27)33(34)35)29-17-19-32(20-18-29)39(36,37)22-23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3