2-methyl-6-morpholin-4-ylsulfonyl-quinoline-3,4-dicarboxylic acid

Systemtic Name: 2-methyl-6-morpholin-4-ylsulfonyl-quinoline-3,4-dicarboxylic acid Openeye Name: 2-methyl-6-morpholinosulfonyl-quinoline-3,4-dicarboxylic acid CAS Name: 2-methyl-6-(4-morpholinylsulfonyl)quinoline-3,4-dicarboxylic acid IUPAC Name: 2-methyl-6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid Traditional Name: 2-methyl-6-morpholinosulfonyl-quinoline-3,4-dicarboxylic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)S(=O)(=O)N3CCOCC3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)S(=O)(=O)N3CCOCC3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O7S/c1-9-13(15(19)20)14(16(21)22)11-8-10(2-3-12(11)17-9)26(23,24)18-4-6-25-7-5-18/h2-3,8H,4-7H2,1H3,(H,19,20)(H,21,22)