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

Systemtic Name: tert-butyl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetic acid tert-butyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4S2/c1-17(2,3)23-16(20)13-24-15-9-8-14(12-18-15)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11,13H2,1-3H3