(2S)-2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-propionamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-5-20-19(25)16(4)21-18(24)13-22-8-10-23(11-9-22)28(26,27)17-12-14(2)6-7-15(17)3/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,20,25)(H,21,24)/p+1/t16-/m0/s1