methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-(azepan-1-ylsulfonylamino)thiazol-4-yl]acetate CAS Name: 2-[2-(1-azepanylsulfonylamino)-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(azepan-1-ylsulfonylamino)thiazol-4-yl]acetic acid methyl ester Formula: C12H19N3O4S2 MolecularWeight: 333.42696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NS(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NS(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C12H19N3O4S2/c1-19-11(16)8-10-9-20-12(13-10)14-21(17,18)15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,13,14)