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

Systemtic Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]-1-oxoheptyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzoic acid Formula: C31H45NO7S MolecularWeight: 575.7565

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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=C(C=C(C=C2)OCCCS(=O)(=O)CCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO7S/c1-7-9-11-22(20-29(33)32-27-19-23(30(34)35)12-15-26(27)31(3,4)5)25-14-13-24(21-28(25)38-6)39-16-10-18-40(36,37)17-8-2/h12-15,19,21-22H,7-11,16-18,20H2,1-6H3,(H,32,33)(H,34,35)