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

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)heptanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(4-isopropylsulfonyl-2-methoxy-phenyl)heptanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propan-2-ylsulfonylphenyl)-1-oxoheptyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonylphenyl)heptanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(4-isopropylsulfonyl-2-methoxy-phenyl)heptanoylamino]benzoic acid Formula: C28H39NO6S MolecularWeight: 517.67736

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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)S(=O)(=O)C(C)C)OC

Isomeric SMILES

CCCCC(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/C28H39NO6S/c1-8-9-10-19(22-13-12-21(17-25(22)35-7)36(33,34)18(2)3)16-26(30)29-24-15-20(27(31)32)11-14-23(24)28(4,5)6/h11-15,17-19H,8-10,16H2,1-7H3,(H,29,30)(H,31,32)