(2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(2-ethylanilino)-2-keto-ethyl]-2-(4-mesylpiperazin-1-ium-1-yl)-N-methyl-propionamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C19H30N4O4S/c1-5-16-8-6-7-9-17(16)20-18(24)14-21(3)19(25)15(2)22-10-12-23(13-11-22)28(4,26)27/h6-9,15H,5,10-14H2,1-4H3,(H,20,24)/p+1/t15-/m0/s1