5-(4,6-dimethylquinolin-2-yl)oxy-N-(2-oxidanylsulfonothioyloxyethyl)pentan-1-amine

Systemtic Name: 5-(4,6-dimethylquinolin-2-yl)oxy-N-(2-oxidanylsulfonothioyloxyethyl)pentan-1-amine Openeye Name: 5-[(4,6-dimethyl-2-quinolyl)oxy]-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine CAS Name: 5-[(4,6-dimethyl-2-quinolinyl)oxy]-N-(2-hydroxysulfonothioyloxyethyl)-1-pentanamine IUPAC Name: 5-(4,6-dimethylquinolin-2-yl)oxy-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine Traditional Name: 5-[(4,6-dimethyl-2-quinolyl)oxy]pentyl-(2-hydroxysulfonothioyloxyethyl)amine Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C)OCCCCCNCCOS(=O)(=S)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C)OCCCCCNCCOS(=O)(=S)O

InChI

InChI=1S/C18H26N2O4S2/c1-14-6-7-17-16(12-14)15(2)13-18(20-17)23-10-5-3-4-8-19-9-11-24-26(21,22)25/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,21,22,25)