6-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Openeye Name: 6-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-[4-(4-chloro-3-methylphenoxy)butanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C29H31ClN2O7S MolecularWeight: 587.08364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)Cl

InChI

InChI=1S/C29H31ClN2O7S/c1-19-17-20(11-13-24(19)30)38-16-6-10-28(33)31-15-5-4-8-25(29(34)35)32-40(36,37)21-12-14-27-23(18-21)22-7-2-3-9-26(22)39-27/h2-3,7,9,11-14,17-18,25,32H,4-6,8,10,15-16H2,1H3,(H,31,33)(H,34,35)