(4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide; cerium(3+)

Systemtic Name: (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide; cerium(3+) Openeye Name: (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide; cerium(3+) CAS Name: (4-aminophenyl)sulfonyl-(2-pyrimidinyl)azanide; cerium(3+) IUPAC Name: (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide; cerium(3+) Traditional Name: cerium(3+); 2-pyrimidyl(sulfanilyl)azanide Formula: C30H27CeN12O6S3 MolecularWeight: 887.92318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ce+3]

Isomeric SMILES

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ce+3]

InChI

InChI=1S/3C10H9N4O2S.Ce/c3*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h3*1-7H,11H2;/q3*-1;+3