propan-2-yl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: propan-2-yl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetic acid isopropyl ester Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)OC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O4S2/c1-13(2)22-16(19)12-23-15-8-7-14(11-17-15)24(20,21)18-9-5-3-4-6-10-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3