N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C17H23N5O4S2/c1-26-15-7-6-13(28(24,25)22-8-4-2-3-5-9-22)10-14(15)20-16(23)11-27-17-18-12-19-21-17/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,20,23)(H,18,19,21)