(4-phenylbutylamino) 5-chloranyl-2-methyl-8-oxidanyl-quinoline-7-sulfinate

Systemtic Name: (4-phenylbutylamino) 5-chloranyl-2-methyl-8-oxidanyl-quinoline-7-sulfinate Openeye Name: (4-phenylbutylamino) 5-chloro-8-hydroxy-2-methyl-quinoline-7-sulfinate CAS Name: 5-chloro-8-hydroxy-2-methyl-7-quinolinesulfinic acid (4-phenylbutylamino) ester IUPAC Name: (4-phenylbutylamino) 5-chloro-8-hydroxy-2-methylquinoline-7-sulfinate Traditional Name: 5-chloro-8-hydroxy-2-methyl-quinoline-7-sulfinic acid (4-phenylbutylamino) ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCCCCC3=CC=CC=C3)O

Isomeric SMILES

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C20H21ClN2O3S/c1-14-10-11-16-17(21)13-18(20(24)19(16)23-14)27(25)26-22-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,22,24H,5-6,9,12H2,1H3