[4-[3-[(4-bromophenyl)carbonylamino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[3-[(4-bromophenyl)carbonylamino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-[(4-bromobenzoyl)amino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-[(4-bromobenzoyl)amino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[3-[(4-bromobenzoyl)amino]propanoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C20H17BrN5O4S- MolecularWeight: 503.34908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN5O4S/c21-15-4-2-14(3-5-15)19(28)22-13-10-18(27)25-16-6-8-17(9-7-16)31(29,30)26-20-23-11-1-12-24-20/h1-9,11-12H,10,13H2,(H3,22,23,24,25,26,27,28)/p-1