1-(2-methyl-1H-indol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-15-21(17-7-3-4-8-18(17)23-15)19(25)14-28-20-10-9-16(13-22-20)29(26,27)24-11-5-2-6-12-24/h3-4,7-10,13,23H,2,5-6,11-12,14H2,1H3