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

Systemtic Name: [4-[3-[(2-methylphenyl)carbonylamino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-[(2-methylbenzoyl)amino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-[(2-methylbenzoyl)amino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[3-(o-toluoylamino)propanoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H20N5O4S- MolecularWeight: 438.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C21H21N5O4S/c1-15-5-2-3-6-18(15)20(28)22-14-11-19(27)25-16-7-9-17(10-8-16)31(29,30)26-21-23-12-4-13-24-21/h2-10,12-13H,11,14H2,1H3,(H3,22,23,24,25,26,27,28)/p-1