(2R)-1-(1H-indol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O3S2/c1-14(20(24)17-13-21-18-7-3-2-6-16(17)18)27-19-9-8-15(12-22-19)28(25,26)23-10-4-5-11-23/h2-3,6-9,12-14,21H,4-5,10-11H2,1H3/t14-/m1/s1