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

Systemtic Name: N,N-diethyl-3-nitro-4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzenesulfonamide Openeye Name: 4-(1-benzyltetrazol-5-yl)sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[1-(phenylmethyl)-5-tetrazolyl]thio]benzenesulfonamide IUPAC Name: 4-(1-benzyltetrazol-5-yl)sulfanyl-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzyltetrazol-5-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H20N6O4S2 MolecularWeight: 448.5192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4S2/c1-3-22(4-2)30(27,28)15-10-11-17(16(12-15)24(25)26)29-18-19-20-21-23(18)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3