(2S)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-2-methyl-N-(4-methylthiazol-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-2-methyl-N-(4-methyl-2-thiazolyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-2-methyl-N-(4-methylthiazol-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C12H21N4O3S2+ MolecularWeight: 333.45014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CSC(=N1)NC(=O)[C@H](C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H20N4O3S2/c1-9(11(17)15-12-14-10(2)7-20-12)8-21(18,19)16-5-3-13-4-6-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,15,17)/p+1/t9-/m1/s1