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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-homoveratryl-amine Formula: C26H29BrN4O6S MolecularWeight: 605.50066

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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)Br)[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)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C26H29BrN4O6S/c1-36-25-10-3-19(17-26(25)37-2)11-12-28-23-18-21(6-9-24(23)31(32)33)29-13-15-30(16-14-29)38(34,35)22-7-4-20(27)5-8-22/h3-10,17-18,28H,11-16H2,1-2H3