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

Systemtic Name: 5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline Openeye Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline CAS Name: 5-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline Traditional Name: [5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-nitro-phenyl]-homoveratryl-amine Formula: C24H27BrN4O6S2 MolecularWeight: 611.52838

Click to see the large picture

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(S4)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(S4)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C24H27BrN4O6S2/c1-34-21-6-3-17(15-22(21)35-2)9-10-26-19-16-18(4-5-20(19)29(30)31)27-11-13-28(14-12-27)37(32,33)24-8-7-23(25)36-24/h3-8,15-16,26H,9-14H2,1-2H3