1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2-methylindolin-1-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2-methylindolin-1-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H25N3O3S2 MolecularWeight: 431.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H25N3O3S2/c1-16-13-17-7-3-4-8-19(17)24(16)21(25)15-28-20-10-9-18(14-22-20)29(26,27)23-11-5-2-6-12-23/h3-4,7-10,14,16H,2,5-6,11-13,15H2,1H3