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

Systemtic Name: 4-(methylsulfonylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(methylsulfonylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(methylsulfonylmethyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(methylsulfonylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(mesylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-28(26,27)17-18-7-9-19(10-8-18)21(25)22-11-12-23-13-15-24(16-14-23)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25)/p+1