1-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-piperazine

Systemtic Name: 1-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-piperazine Openeye Name: 1-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]-4-phenyl-piperazine CAS Name: 1-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-phenylpiperazine IUPAC Name: 1-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylpiperazine Traditional Name: 1-[2-nitro-5-(4-tosylpiperazino)phenyl]-4-phenyl-piperazine Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O4S/c1-22-7-10-25(11-8-22)37(35,36)31-19-17-29(18-20-31)24-9-12-26(32(33)34)27(21-24)30-15-13-28(14-16-30)23-5-3-2-4-6-23/h2-12,21H,13-20H2,1H3