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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-p-phenetyl-propionamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C24H31N3O4S/c1-3-31-22-10-8-21(9-11-22)25-24(28)18(2)26-13-15-27(16-14-26)32(29,30)23-12-7-19-5-4-6-20(19)17-23/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,25,28)/p+1/t18-/m0/s1