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

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenyltetrazol-5-yl)thio]benzenesulfonamide Formula: C17H19N7O4S2 MolecularWeight: 449.50726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4S2/c1-22(2)11-10-18-30(27,28)14-8-9-16(15(12-14)24(25)26)29-17-19-20-21-23(17)13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3