2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]sulfanyl]-1-indolin-1-yl-ethanone CAS Name: 2-[[6-(1-azepanylsulfonyl)-4-methyl-2-quinolinyl]thio]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]thio]-1-indolin-1-yl-ethanone Formula: C26H29N3O3S2 MolecularWeight: 495.65676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)SCC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O3S2/c1-19-16-25(33-18-26(30)29-15-12-20-8-4-5-9-24(20)29)27-23-11-10-21(17-22(19)23)34(31,32)28-13-6-2-3-7-14-28/h4-5,8-11,16-17H,2-3,6-7,12-15,18H2,1H3