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

Systemtic Name: 4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(1-o-phenetyltetrazol-5-yl)thio]benzenesulfonamide Formula: C16H16N6O5S2 MolecularWeight: 436.46544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O5S2/c1-3-27-14-7-5-4-6-12(14)21-16(18-19-20-21)28-15-9-8-11(29(25,26)17-2)10-13(15)22(23)24/h4-10,17H,3H2,1-2H3