N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-thenylthio)benzamide Formula: C23H26N3O3S3+ MolecularWeight: 488.66584

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C23H25N3O3S3/c1-25-12-14-26(15-13-25)32(28,29)20-10-8-18(9-11-20)24-23(27)21-6-2-3-7-22(21)31-17-19-5-4-16-30-19/h2-11,16H,12-15,17H2,1H3,(H,24,27)/p+1