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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[4-(methylthio)phenyl]sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: homoveratryl-[5-[4-[4-(methylthio)phenyl]sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C27H32N4O6S2 MolecularWeight: 572.69618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C27H32N4O6S2/c1-36-26-11-4-20(18-27(26)37-2)12-13-28-24-19-21(5-10-25(24)31(32)33)29-14-16-30(17-15-29)39(34,35)23-8-6-22(38-3)7-9-23/h4-11,18-19,28H,12-17H2,1-3H3