4-tert-butyl-3-[3-[5-chloranyl-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-[5-chloranyl-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]-1-oxoheptyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid Formula: C31H44ClNO7S MolecularWeight: 610.20156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCCS(=O)(=O)CCC)Cl

Isomeric SMILES

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCCS(=O)(=O)CCC)Cl

InChI

InChI=1S/C31H44ClNO7S/c1-7-9-11-21(18-29(34)33-26-17-22(30(35)36)12-13-24(26)31(3,4)5)23-19-25(32)28(20-27(23)39-6)40-14-10-16-41(37,38)15-8-2/h12-13,17,19-21H,7-11,14-16,18H2,1-6H3,(H,33,34)(H,35,36)