1-[4-[3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C23H30N2O6S2 MolecularWeight: 494.6241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)O)OC

InChI

InChI=1S/C23H30N2O6S2/c1-17(26)18-7-9-21(22(13-18)30-2)31-15-19(27)16-32-23-10-8-20(14-24-23)33(28,29)25-11-5-3-4-6-12-25/h7-10,13-14,19,27H,3-6,11-12,15-16H2,1-2H3