6-morpholin-4-ylsulfonyl-2-propan-2-yl-quinoline-3,4-dicarboxylic acid

Systemtic Name: 6-morpholin-4-ylsulfonyl-2-propan-2-yl-quinoline-3,4-dicarboxylic acid Openeye Name: 2-isopropyl-6-morpholinosulfonyl-quinoline-3,4-dicarboxylic acid CAS Name: 6-(4-morpholinylsulfonyl)-2-propan-2-ylquinoline-3,4-dicarboxylic acid IUPAC Name: 6-morpholin-4-ylsulfonyl-2-propan-2-ylquinoline-3,4-dicarboxylic acid Traditional Name: 2-isopropyl-6-morpholinosulfonyl-quinoline-3,4-dicarboxylic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C=C(C=CC2=N1)S(=O)(=O)N3CCOCC3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=C2C=C(C=CC2=N1)S(=O)(=O)N3CCOCC3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O7S/c1-10(2)16-15(18(23)24)14(17(21)22)12-9-11(3-4-13(12)19-16)28(25,26)20-5-7-27-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,21,22)(H,23,24)