1-(2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-indolin-1-yl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-indolin-1-yl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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