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

Systemtic Name: 1-(3-methoxyphenyl)-4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperazine Openeye Name: 1-(3-methoxyphenyl)-4-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperazine CAS Name: 1-(3-methoxyphenyl)-4-[4-(1-tetrazolyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(3-methoxyphenyl)-4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine Traditional Name: 1-(3-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(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

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