N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-[(methylthio)methyl]benzamide Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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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=C(C=C3)CSC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-22-11-13-23(14-12-22)28(25,26)19-9-7-18(8-10-19)21-20(24)17-5-3-16(4-6-17)15-27-2/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1