1-(azepan-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O3S2/c22-18(20-10-4-1-2-5-11-20)15-25-17-9-8-16(14-19-17)26(23,24)21-12-6-3-7-13-21/h8-9,14H,1-7,10-13,15H2