(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

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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=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O3S2/c1-17(23(27)24-21-8-3-4-9-22(21)30-2)25-12-14-26(15-13-25)31(28,29)20-11-10-18-6-5-7-19(18)16-20/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1