1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H29N3O3S2/c1-4-10-24-16(2)13-19(17(24)3)20(25)15-28-21-9-8-18(14-22-21)29(26,27)23-11-6-5-7-12-23/h8-9,13-14H,4-7,10-12,15H2,1-3H3