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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H27N5O4S2 MolecularWeight: 465.58948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NN=CN3C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NN=CN3C4CC4

InChI

InChI=1S/C20H27N5O4S2/c1-29-18-9-8-16(31(27,28)24-10-4-2-3-5-11-24)12-17(18)22-19(26)13-30-20-23-21-14-25(20)15-6-7-15/h8-9,12,14-15H,2-7,10-11,13H2,1H3,(H,22,26)