(2S)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-propionamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H30N4O4S/c1-3-9-20-19(25)16(2)21-18(24)14-22-10-12-23(13-11-22)28(26,27)15-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,20,25)(H,21,24)/p+1/t16-/m0/s1