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1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol

1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol

Systemtic Name:1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
Openeye Name:1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CAS Name:1-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-3-[(3,4-dimethoxyphenyl)methoxy]-2-propanol
IUPAC Name:1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
Traditional Name:1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-3-veratryloxy-propan-2-ol
Formula: C23H32N2O6S2
MolecularWeight: 496.63998
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)O)OC


Isomeric SMILES

COC1=C(C=C(C=C1)COCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)O)OC


InChI

InChI=1S/C23H32N2O6S2/c1-29-21-9-7-18(13-22(21)30-2)15-31-16-19(26)17-32-23-10-8-20(14-24-23)33(27,28)25-11-5-3-4-6-12-25/h7-10,13-14,19,26H,3-6,11-12,15-17H2,1-2H3


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