3-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 3-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 3-methylsulfonyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 3-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 3-mesyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-27(25,26)19-9-5-6-17(16-19)20(24)21-10-11-22-12-14-23(15-13-22)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1