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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(2-acetylphenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-acetylphenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-acetylphenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-acetylphenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C24H29N3O4S/c1-17(24(29)25-23-9-4-3-8-22(23)18(2)28)26-12-14-27(15-13-26)32(30,31)21-11-10-19-6-5-7-20(19)16-21/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3,(H,25,29)/p+1/t17-/m0/s1