2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H31N3O4S/c1-19(29)24(16-20-6-3-2-4-7-20)26-25(30)18-27-12-14-28(15-13-27)33(31,32)23-11-10-21-8-5-9-22(21)17-23/h2-4,6-7,10-11,17,24H,5,8-9,12-16,18H2,1H3,(H,26,30)/p+1/t24-/m0/s1