N-[4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]phenyl]-1,3-benzothiazole-6-carboxamide Formula: C22H18BrN3O4S2 MolecularWeight: 532.43002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H18BrN3O4S2/c1-2-30-19-10-4-15(23)12-21(19)32(28,29)26-17-7-5-16(6-8-17)25-22(27)14-3-9-18-20(11-14)31-13-24-18/h3-13,26H,2H2,1H3,(H,25,27)