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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-phenoxy-propan-2-ol Openeye Name: 1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-3-phenoxy-propan-2-ol CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-3-phenoxy-2-propanol IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-phenoxypropan-2-ol Traditional Name: 1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-3-phenoxy-propan-2-ol Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S2/c23-17(15-26-18-8-4-3-5-9-18)16-27-20-11-10-19(14-21-20)28(24,25)22-12-6-1-2-7-13-22/h3-5,8-11,14,17,23H,1-2,6-7,12-13,15-16H2