4-(1,3-dihydroisoindol-2-ylsulfonylamino)-2-methyl-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid

Systemtic Name: 4-(1,3-dihydroisoindol-2-ylsulfonylamino)-2-methyl-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid Openeye Name: 4-(isoindolin-2-ylsulfonylamino)-2-methyl-2-[3-(3-pyridylmethyl)phenyl]butanoic acid CAS Name: 4-(1,3-dihydroisoindol-2-ylsulfonylamino)-2-methyl-2-[3-(3-pyridinylmethyl)phenyl]butanoic acid IUPAC Name: 4-(1,3-dihydroisoindol-2-ylsulfonylamino)-2-methyl-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid Traditional Name: 4-(isoindolin-2-ylsulfonylamino)-2-methyl-2-[3-(3-pyridylmethyl)phenyl]butyric acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNS(=O)(=O)N1CC2=CC=CC=C2C1)(C3=CC=CC(=C3)CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC(CCNS(=O)(=O)N1CC2=CC=CC=C2C1)(C3=CC=CC(=C3)CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C25H27N3O4S/c1-25(24(29)30,23-10-4-6-19(15-23)14-20-7-5-12-26-16-20)11-13-27-33(31,32)28-17-21-8-2-3-9-22(21)18-28/h2-10,12,15-16,27H,11,13-14,17-18H2,1H3,(H,29,30)