N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H27N5O4S2/c1-3-23-14-20-22-19(23)29-13-18(25)21-16-12-15(8-9-17(16)28-2)30(26,27)24-10-6-4-5-7-11-24/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,21,25)