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

Systemtic Name: 1-(4-methoxyphenyl)-4-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-phenyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]piperazine Formula: C31H33N5O5S MolecularWeight: 587.68922

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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)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H33N5O5S/c1-41-28-10-7-26(8-11-28)32-14-16-34(17-15-32)31-23-27(9-13-30(31)36(37)38)33-18-20-35(21-19-33)42(39,40)29-12-6-24-4-2-3-5-25(24)22-29/h2-13,22-23H,14-21H2,1H3