2-chloranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonylbenzamide Traditional Name: 2-chloro-4-mesyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-22-9-11-23(12-10-22)18-6-4-3-5-17(18)21-19(24)15-8-7-14(13-16(15)20)27(2,25)26/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1