1-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-methoxy-5-morpholinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(2-methoxy-5-morpholinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-30-20-8-7-15(32(28,29)23-10-12-31-13-11-23)14-18(20)21(25)24-9-3-5-16-17(22(26)27)4-2-6-19(16)24/h2,4,6-8,14H,3,5,9-13H2,1H3,(H,26,27)