N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]-1,3-benzothiazole-6-carboxamide Formula: C22H16ClN3O4S2 MolecularWeight: 485.96314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4)Cl

InChI

InChI=1S/C22H16ClN3O4S2/c1-32(29,30)16-4-2-3-13(9-16)22(28)26-18-8-6-15(11-17(18)23)25-21(27)14-5-7-19-20(10-14)31-12-24-19/h2-12H,1H3,(H,25,27)(H,26,28)