N-[4-(butanoylamino)-2-chloranyl-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[4-(butanoylamino)-2-chloranyl-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[4-(butanoylamino)-2-chloro-5-hydroxy-phenyl]-2-(p-tolylsulfonyl)butanamide CAS Name: N-[2-chloro-5-hydroxy-4-(1-oxobutylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[4-(butanoylamino)-2-chloro-5-hydroxyphenyl]-2-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(4-butyramido-2-chloro-5-hydroxy-phenyl)-2-tosyl-butyramide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C(CC)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C(CC)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C21H25ClN2O5S/c1-4-6-20(26)23-17-11-15(22)16(12-18(17)25)24-21(27)19(5-2)30(28,29)14-9-7-13(3)8-10-14/h7-12,19,25H,4-6H2,1-3H3,(H,23,26)(H,24,27)