3-chloranyl-4-isocyano-N-[4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]benzamide

Systemtic Name: 3-chloranyl-4-isocyano-N-[4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]benzamide Openeye Name: 3-chloro-N-[2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]-4-isocyano-benzamide CAS Name: 3-chloro-N-[2-hydroxy-4-[[2-(3-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-4-isocyanobenzamide IUPAC Name: 3-chloro-N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-isocyanobenzamide Traditional Name: 3-chloro-N-[2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]-4-isocyano-benzamide Formula: C25H22ClN3O5S MolecularWeight: 511.97728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+]#[C-])Cl)O)S(=O)(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+]#[C-])Cl)O)S(=O)(=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C25H22ClN3O5S/c1-4-23(35(33,34)18-7-5-6-15(2)12-18)25(32)28-17-9-11-21(22(30)14-17)29-24(31)16-8-10-20(27-3)19(26)13-16/h5-14,23,30H,4H2,1-2H3,(H,28,32)(H,29,31)