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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NCC2=CC=CC=C2CN3C=NC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NCC2=CC=CC=C2CN3C=NC=N3

InChI

InChI=1S/C16H23N5O2S/c22-24(23,21-9-5-1-2-6-10-21)19-11-15-7-3-4-8-16(15)12-20-14-17-13-18-20/h3-4,7-8,13-14,19H,1-2,5-6,9-12H2