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

Systemtic Name: N-[5-chloranyl-4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-2-(phenylmethyl)butanamide Openeye Name: 2-benzyl-N-[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]butanamide CAS Name: N-[5-chloro-2-hydroxy-4-[[2-(3-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-2-(phenylmethyl)butanamide IUPAC Name: 2-benzyl-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]butanamide Traditional Name: 2-benzyl-N-[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]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)C(CC)S(=O)(=O)C3=CC=CC(=C3)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN2O5S/c1-4-20(15-19-11-7-6-8-12-19)27(33)31-24-16-22(29)23(17-25(24)32)30-28(34)26(5-2)37(35,36)21-13-9-10-18(3)14-21/h6-14,16-17,20,26,32H,4-5,15H2,1-3H3,(H,30,34)(H,31,33)