N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]azepane-1-sulfonamide

Systemtic Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]azepane-1-sulfonamide Openeye Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]azepane-1-sulfonamide CAS Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-azepanesulfonamide IUPAC Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]azepane-1-sulfonamide Traditional Name: N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]azepane-1-sulfonamide Formula: C16H23N5O2S MolecularWeight: 349.45112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H23N5O2S/c22-24(23,21-9-3-1-2-4-10-21)19-11-15-5-7-16(8-6-15)12-20-14-17-13-18-20/h5-8,13-14,19H,1-4,9-12H2