(2R)-N-[4-chloranyl-3-[2-(1,2,4-triazolidin-1-yl)ethanoylamino]phenyl]-2-dodecylsulfonyl-propanamide

Systemtic Name: (2R)-N-[4-chloranyl-3-[2-(1,2,4-triazolidin-1-yl)ethanoylamino]phenyl]-2-dodecylsulfonyl-propanamide Openeye Name: (2R)-N-[4-chloro-3-[[2-(1,2,4-triazolidin-1-yl)acetyl]amino]phenyl]-2-dodecylsulfonyl-propanamide CAS Name: (2R)-N-[4-chloro-3-[[1-oxo-2-(1,2,4-triazolidin-1-yl)ethyl]amino]phenyl]-2-dodecylsulfonylpropanamide IUPAC Name: (2R)-N-[4-chloro-3-[[2-(1,2,4-triazolidin-1-yl)acetyl]amino]phenyl]-2-dodecylsulfonylpropanamide Traditional Name: (2R)-N-[4-chloro-3-[[2-(1,2,4-triazolidin-1-yl)acetyl]amino]phenyl]-2-laurylsulfonyl-propionamide Formula: C25H42ClN5O4S MolecularWeight: 544.15008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CN2CNCN2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[C@H](C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CN2CNCN2

InChI

InChI=1S/C25H42ClN5O4S/c1-3-4-5-6-7-8-9-10-11-12-15-36(34,35)20(2)25(33)29-21-13-14-22(26)23(16-21)30-24(32)17-31-19-27-18-28-31/h13-14,16,20,27-28H,3-12,15,17-19H2,1-2H3,(H,29,33)(H,30,32)/t20-/m1/s1