[4-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[3-methyl-4-(1-tetrazolyl)phenyl]sulfonyl-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazino]-(3-pyridyl)methanone Formula: C18H19N7O3S MolecularWeight: 413.45356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3)N4C=NN=N4

InChI

InChI=1S/C18H19N7O3S/c1-14-11-16(4-5-17(14)25-13-20-21-22-25)29(27,28)24-9-7-23(8-10-24)18(26)15-3-2-6-19-12-15/h2-6,11-13H,7-10H2,1H3