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

Systemtic Name: (2S)-2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]propanamide CAS Name: (2S)-2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-N-ethyl-2-[[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]propionamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H30N4O4S/c1-3-21-20(26)15(2)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-4-6-17(16)13-18/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,21,26)(H,22,25)/p+1/t15-/m0/s1