N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]phenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-methoxy-benzenesulfonamide Formula: C24H19N5O3S2 MolecularWeight: 489.56936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C24H19N5O3S2/c1-32-19-7-9-20(10-8-19)34(30,31)29-17-4-2-16(3-5-17)21-12-13-25-24(28-21)27-18-6-11-22-23(14-18)33-15-26-22/h2-15,29H,1H3,(H,25,27,28)