1-(2-methoxyphenyl)-4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperazine CAS Name: 1-(2-methoxyphenyl)-4-[4-(1-tetrazolyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine Traditional Name: 1-(2-methoxyphenyl)-4-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperazine Formula: C18H20N6O3S MolecularWeight: 400.4548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C18H20N6O3S/c1-27-18-5-3-2-4-17(18)22-10-12-23(13-11-22)28(25,26)16-8-6-15(7-9-16)24-14-19-20-21-24/h2-9,14H,10-13H2,1H3