N-[2-(5-bromanylthiophen-2-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(5-bromo-2-thienyl)ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C17H22BrN4O4S2+ MolecularWeight: 490.41498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H21BrN4O4S2/c1-20-8-10-21(11-9-20)28(25,26)14-3-4-15(16(12-14)22(23)24)19-7-6-13-2-5-17(18)27-13/h2-5,12,19H,6-11H2,1H3/p+1