2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CC=CN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H21N3O3S2/c21-16(15-6-5-9-18-15)13-24-17-8-7-14(12-19-17)25(22,23)20-10-3-1-2-4-11-20/h5-9,12,18H,1-4,10-11,13H2