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

Systemtic Name: (2S)-2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-5-8-21-20(26)17(4)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-7-6-15(2)13-16(18)3/h6-7,13,17H,5,8-12,14H2,1-4H3,(H,21,26)(H,22,25)/p+1/t17-/m0/s1