N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-thienylmethylsulfanyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(3-thiophenylmethylthio)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-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=CSC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CSC=C4

InChI

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