N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: homoveratryl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C27H32N4O6S MolecularWeight: 540.63118

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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-])NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H32N4O6S/c1-20-4-8-23(9-5-20)38(34,35)30-16-14-29(15-17-30)22-7-10-25(31(32)33)24(19-22)28-13-12-21-6-11-26(36-2)27(18-21)37-3/h4-11,18-19,28H,12-17H2,1-3H3