(2R)-N-(2-methylsulfanylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-methylsulfanylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-methylsulfanylphenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[2-(methylthio)phenyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-methylsulfanylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[2-(methylthio)phenyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C24H28N3O3S2+ MolecularWeight: 470.62742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O3S2/c1-18(24(28)25-22-9-5-6-10-23(22)31-2)26-13-15-27(16-14-26)32(29,30)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17-18H,13-16H2,1-2H3,(H,25,28)/p+1/t18-/m1/s1