1-(3-ethyl-2-methyl-quinolin-6-yl)-2-(4-methoxycyclohexyl)-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 1-(3-ethyl-2-methyl-quinolin-6-yl)-2-(4-methoxycyclohexyl)-2-oxidanylidene-ethanesulfonic acid Openeye Name: 1-(3-ethyl-2-methyl-6-quinolyl)-2-(4-methoxycyclohexyl)-2-oxo-ethanesulfonic acid CAS Name: 1-(3-ethyl-2-methyl-6-quinolinyl)-2-(4-methoxycyclohexyl)-2-oxoethanesulfonic acid IUPAC Name: 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)-2-oxoethanesulfonic acid Traditional Name: 1-(3-ethyl-2-methyl-6-quinolyl)-2-keto-2-(4-methoxycyclohexyl)ethanesulfonic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=CC(=CC2=C1)C(C(=O)C3CCC(CC3)OC)S(=O)(=O)O)C

Isomeric SMILES

CCC1=C(N=C2C=CC(=CC2=C1)C(C(=O)C3CCC(CC3)OC)S(=O)(=O)O)C

InChI

InChI=1S/C21H27NO5S/c1-4-14-11-17-12-16(7-10-19(17)22-13(14)2)21(28(24,25)26)20(23)15-5-8-18(27-3)9-6-15/h7,10-12,15,18,21H,4-6,8-9H2,1-3H3,(H,24,25,26)