N-[5-chloranyl-4-[3-(4-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-2-(phenylmethyl)butanamide

Systemtic Name: N-[5-chloranyl-4-[3-(4-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-2-(phenylmethyl)butanamide Openeye Name: 2-benzyl-N-[5-chloro-2-hydroxy-4-[3-(p-tolylsulfonyl)butanoylamino]phenyl]butanamide CAS Name: N-[5-chloro-2-hydroxy-4-[[3-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-2-(phenylmethyl)butanamide IUPAC Name: 2-benzyl-N-[5-chloro-2-hydroxy-4-[3-(4-methylphenyl)sulfonylbutanoylamino]phenyl]butanamide Traditional Name: 2-benzyl-N-[5-chloro-2-hydroxy-4-(3-tosylbutanoylamino)phenyl]butyramide Formula: C28H31ClN2O5S MolecularWeight: 543.07414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)CC(C)S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)CC(C)S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C28H31ClN2O5S/c1-4-21(15-20-8-6-5-7-9-20)28(34)31-25-16-23(29)24(17-26(25)32)30-27(33)14-19(3)37(35,36)22-12-10-18(2)11-13-22/h5-13,16-17,19,21,32H,4,14-15H2,1-3H3,(H,30,33)(H,31,34)