2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-hydroxyphenyl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-hydroxyphenyl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(4-hydroxyphenyl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(4-hydroxyphenyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-hydroxyphenyl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(4-hydroxyphenyl)ethanone Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c22-16-7-5-15(6-8-16)18(23)14-26-19-10-9-17(13-20-19)27(24,25)21-11-3-1-2-4-12-21/h5-10,13,22H,1-4,11-12,14H2