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

Systemtic Name: 2-[[(3S)-2-(2-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[(3S)-2-(2-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid CAS Name: 2-[[[(3S)-2-(2-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[(3S)-2-(2-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Traditional Name: 2-[[(3S)-2-(2-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N3O5S/c1-2-3-11-19(23(28)29)25-22(27)20-13-16-8-4-5-10-18(16)15-26(20)32(30,31)21-12-7-6-9-17(21)14-24/h4-10,12,19-20H,2-3,11,13,15H2,1H3,(H,25,27)(H,28,29)/t19?,20-/m0/s1