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

Systemtic Name: 3,4-dimethoxy-N-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]benzenesulfonamide Formula: C17H19N5O4S2 MolecularWeight: 421.49386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C17H19N5O4S2/c1-25-15-9-8-14(12-16(15)26-2)28(23,24)18-10-11-27-17-19-20-21-22(17)13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3