3-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propanamide

Systemtic Name: 3-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propanamide Openeye Name: 3-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propanamide CAS Name: 3-(4-methylsulfonyl-1-piperazin-1-iumyl)-N-(2-phenylphenyl)propanamide IUPAC Name: 3-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propanamide Traditional Name: 3-(4-mesylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propionamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

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