4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(4-isopropylsulfonyl-2-methoxy-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propan-2-ylsulfonylphenyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonylphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(4-isopropylsulfonyl-2-methoxy-phenyl)octanoylamino]benzoic acid Formula: C29H41NO6S MolecularWeight: 531.70394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)OC

InChI

InChI=1S/C29H41NO6S/c1-8-9-10-11-20(23-14-13-22(18-26(23)36-7)37(34,35)19(2)3)17-27(31)30-25-16-21(28(32)33)12-15-24(25)29(4,5)6/h12-16,18-20H,8-11,17H2,1-7H3,(H,30,31)(H,32,33)