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

Systemtic Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-chloro-benzenesulfonamide CAS Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]phenyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-chlorobenzenesulfonamide Traditional Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]-4-chloro-benzenesulfonamide Formula: C23H16ClN5O2S2 MolecularWeight: 493.98844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)N=CS4)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)N=CS4)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H16ClN5O2S2/c24-16-3-8-19(9-4-16)33(30,31)29-17-5-1-15(2-6-17)20-11-12-25-23(28-20)27-18-7-10-21-22(13-18)32-14-26-21/h1-14,29H,(H,25,27,28)