3-azanylidene-6-ethoxy-2-[2-[3-ethyl-5-(methylsulfonylmethylamino)-4-oxidanyl-phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-[3-ethyl-5-(methylsulfonylmethylamino)-4-oxidanyl-phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-2-[2-[3-ethyl-4-hydroxy-5-(methylsulfonylmethylamino)phenyl]-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-2-[2-[3-ethyl-4-hydroxy-5-(methylsulfonylmethylamino)phenyl]-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-2-[2-[3-ethyl-4-hydroxy-5-(methylsulfonylmethylamino)phenyl]-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-2-[2-[3-ethyl-4-hydroxy-5-(mesylmethylamino)phenyl]-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)OCC)NCS(=O)(=O)C)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)OCC)NCS(=O)(=O)C)O

InChI

InChI=1S/C23H27N3O7S/c1-4-13-6-14(7-18(21(13)28)25-12-34(3,31)32)19(27)11-26-10-15-8-20(33-5-2)17(23(29)30)9-16(15)22(26)24/h6-9,24-25,28H,4-5,10-12H2,1-3H3,(H,29,30)