1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol Openeye Name: 1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-propanol IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol Traditional Name: 1-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol Formula: C24H32N2O5S2 MolecularWeight: 492.65128

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5S2/c1-3-8-19-9-11-22(23(15-19)30-2)31-17-20(27)18-32-24-12-10-21(16-25-24)33(28,29)26-13-6-4-5-7-14-26/h3,8-12,15-16,20,27H,4-7,13-14,17-18H2,1-2H3/b8-3+