1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H23N3O3S2/c1-15-12-16-6-2-3-7-18(16)23(15)20(24)14-27-19-9-8-17(13-21-19)28(25,26)22-10-4-5-11-22/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3/t15-/m0/s1