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

Systemtic Name: 1-(3-morpholin-4-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(3-morpholinosulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(3-morpholin-4-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(3-morpholinosulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C(=O)O

InChI

InChI=1S/C21H22N2O6S/c24-20(23-9-3-7-17-18(21(25)26)6-2-8-19(17)23)15-4-1-5-16(14-15)30(27,28)22-10-12-29-13-11-22/h1-2,4-6,8,14H,3,7,9-13H2,(H,25,26)