1-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-methyl-1-methylsulfonyl-indoline-5-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(1-mesyl-2-methyl-indoline-5-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-13-11-15-12-14(8-9-18(15)23(13)29(2,27)28)20(24)22-10-4-6-16-17(21(25)26)5-3-7-19(16)22/h3,5,7-9,12-13H,4,6,10-11H2,1-2H3,(H,25,26)