2-(4-methylquinolin-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

InChI

InChI=1S/C24H26N4O3S2/c1-17-14-24(27-21-11-5-4-10-20(17)21)32-16-23(29)26-18-8-7-9-19(15-18)33(30,31)28-22-12-3-2-6-13-25-22/h4-5,7-11,14-15H,2-3,6,12-13,16H2,1H3,(H,25,28)(H,26,29)