2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]ethanone Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-14-20(16(3)25)15(2)23-21(14)18(26)13-29-19-9-8-17(12-22-19)30(27,28)24-10-6-4-5-7-11-24/h8-9,12,23H,4-7,10-11,13H2,1-3H3