4-(1,3-dithian-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C22H28N3O3S3+ MolecularWeight: 478.67102

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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)C4SCCCS4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H27N3O3S3/c1-24-11-13-25(14-12-24)31(27,28)20-9-7-19(8-10-20)23-21(26)17-3-5-18(6-4-17)22-29-15-2-16-30-22/h3-10,22H,2,11-16H2,1H3,(H,23,26)/p+1