2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[6-(1-azepanylsulfonyl)-4-methyl-2-quinolinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O4S2/c1-18-15-25(33-17-24(29)26-19-7-9-20(32-2)10-8-19)27-23-12-11-21(16-22(18)23)34(30,31)28-13-5-3-4-6-14-28/h7-12,15-16H,3-6,13-14,17H2,1-2H3,(H,26,29)