1-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-indan-5-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-indan-5-yl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O3S2/c1-15(21(24)18-8-7-16-5-4-6-17(16)13-18)27-20-10-9-19(14-22-20)28(25,26)23-11-2-3-12-23/h7-10,13-15H,2-6,11-12H2,1H3