N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

Isomeric SMILES

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

InChI

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