4-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylsulfonyl-benzamide Openeye Name: 4-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylsulfonyl-benzamide CAS Name: 4-chloro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-methylsulfonylbenzamide IUPAC Name: 4-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylsulfonylbenzamide Traditional Name: 4-chloro-3-mesyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C19H23ClN3O5S2+ MolecularWeight: 472.98602

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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)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O5S2/c1-22-9-11-23(12-10-22)30(27,28)16-6-4-15(5-7-16)21-19(24)14-3-8-17(20)18(13-14)29(2,25)26/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1