2-[[(3S)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[(3S)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[(3S)-2-(4-isopropylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid CAS Name: 2-[[oxo-[(3S)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]hexanoic acid IUPAC Name: 2-[[(3S)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Traditional Name: 2-[[(3S)-2-p-cumenylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H32N2O5S/c1-4-5-10-22(25(29)30)26-24(28)23-15-19-8-6-7-9-20(19)16-27(23)33(31,32)21-13-11-18(12-14-21)17(2)3/h6-9,11-14,17,22-23H,4-5,10,15-16H2,1-3H3,(H,26,28)(H,29,30)/t22?,23-/m0/s1