N-[5-chloranyl-2-oxidanyl-4-[2-(phenylsulfonyl)butanoylamino]phenyl]-2-(3-methylphenoxy)butanamide

Systemtic Name: N-[5-chloranyl-2-oxidanyl-4-[2-(phenylsulfonyl)butanoylamino]phenyl]-2-(3-methylphenoxy)butanamide Openeye Name: N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxy-phenyl]-2-(3-methylphenoxy)butanamide CAS Name: N-[4-[[2-(benzenesulfonyl)-1-oxobutyl]amino]-5-chloro-2-hydroxyphenyl]-2-(3-methylphenoxy)butanamide IUPAC Name: N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-(3-methylphenoxy)butanamide Traditional Name: N-[4-(2-besylbutanoylamino)-5-chloro-2-hydroxy-phenyl]-2-(3-methylphenoxy)butyramide Formula: C27H29ClN2O6S MolecularWeight: 545.04696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C(CC)S(=O)(=O)C2=CC=CC=C2)O)OC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C(CC)S(=O)(=O)C2=CC=CC=C2)O)OC3=CC=CC(=C3)C

InChI

InChI=1S/C27H29ClN2O6S/c1-4-24(36-18-11-9-10-17(3)14-18)26(32)30-22-15-20(28)21(16-23(22)31)29-27(33)25(5-2)37(34,35)19-12-7-6-8-13-19/h6-16,24-25,31H,4-5H2,1-3H3,(H,29,33)(H,30,32)