ethyl N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]carbamate CAS Name: N-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]carbamic acid ethyl ester Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H23N3O5S2/c1-2-24-16(21)18-14(20)12-25-15-8-7-13(11-17-15)26(22,23)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10,12H2,1H3,(H,18,20,21)