N-methyl-3-nitro-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide CAS Name: N-methyl-3-nitro-N-[(1-propyl-5-tetrazolyl)methyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide Formula: C12H16N6O4S MolecularWeight: 340.35824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O4S/c1-3-7-17-12(13-14-15-17)9-16(2)23(21,22)11-6-4-5-10(8-11)18(19)20/h4-6,8H,3,7,9H2,1-2H3