2-[4-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[3-methoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-[4-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine CAS Name: 2-[4-[3-methoxy-4-(1-tetrazolyl)phenyl]sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-[4-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperazino]pyrimidine Formula: C16H18N8O3S MolecularWeight: 402.43092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=NN=N4

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=NN=N4

InChI

InChI=1S/C16H18N8O3S/c1-27-15-11-13(3-4-14(15)24-12-19-20-21-24)28(25,26)23-9-7-22(8-10-23)16-17-5-2-6-18-16/h2-6,11-12H,7-10H2,1H3