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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H41NO6S/c1-8-9-10-21(23-13-12-22(18-26(23)36-7)37(34,35)19(2)3)17-27(31)30-25-15-20(16-28(32)33)11-14-24(25)29(4,5)6/h11-15,18-19,21H,8-10,16-17H2,1-7H3,(H,30,31)(H,32,33)