3-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-[2-(phenylcarbonyl)phenyl]propanamide

Systemtic Name: 3-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-[2-(phenylcarbonyl)phenyl]propanamide Openeye Name: N-(2-benzoylphenyl)-3-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-benzoylphenyl)-3-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2-benzoylphenyl)-3-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-benzoylphenyl)-3-(4-mesylpiperazin-1-ium-1-yl)propionamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-29(27,28)24-15-13-23(14-16-24)12-11-20(25)22-19-10-6-5-9-18(19)21(26)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,22,25)/p+1