N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC(=N3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C17H20N6O3S/c18-11-16-19-13-22(21-16)12-17(24)20-14-6-5-7-15(10-14)27(25,26)23-8-3-1-2-4-9-23/h5-7,10,13H,1-4,8-9,12H2,(H,20,24)