2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoylamino]-N-ethyl-ethanamide

Systemtic Name: 2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoylamino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]-N-ethyl-acetamide CAS Name: 2-[[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-N-ethylacetamide IUPAC Name: 2-[[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]amino]-N-ethyl-acetamide Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=O)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N4O4S2/c1-2-18-15(22)12-19-16(23)13-26-17-8-7-14(11-20-17)27(24,25)21-9-5-3-4-6-10-21/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,18,22)(H,19,23)