2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-ethyl-amino]-N-isopropyl-acetamide Formula: C20H32N4O4S2 MolecularWeight: 456.62248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S2/c1-4-23(14-18(25)22-16(2)3)20(26)15-29-19-10-9-17(13-21-19)30(27,28)24-11-7-5-6-8-12-24/h9-10,13,16H,4-8,11-12,14-15H2,1-3H3,(H,22,25)