4-[[4-[4-[(E)-3-oxidanylprop-1-enyl]phenyl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[4-[(E)-3-oxidanylprop-1-enyl]phenyl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCO)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1/C=C/CO)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H18N4O3S/c20-27(25,26)17-9-7-16(8-10-17)22-19-21-12-11-18(23-19)15-5-3-14(4-6-15)2-1-13-24/h1-12,24H,13H2,(H2,20,25,26)(H,21,22,23)/b2-1+