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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: 1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-3-(4-chlorophenoxy)propan-2-ol CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-3-(4-chlorophenoxy)-2-propanol IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-(4-chlorophenoxy)propan-2-ol Traditional Name: 1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-3-(4-chlorophenoxy)propan-2-ol Formula: C20H25ClN2O4S2 MolecularWeight: 457.0065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H25ClN2O4S2/c21-16-5-7-18(8-6-16)27-14-17(24)15-28-20-10-9-19(13-22-20)29(25,26)23-11-3-1-2-4-12-23/h5-10,13,17,24H,1-4,11-12,14-15H2