2-[(4-chlorophenyl)sulfonylamino]-N-(cyanomethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)sulfonylamino]-N-(cyanomethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(4-chlorophenyl)sulfonylamino]-N-(cyanomethyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-N-(cyanomethyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(4-chlorophenyl)sulfonylamino]-N-(cyanomethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-N-(cyanomethyl)-1,3-benzothiazole-6-carboxamide Formula: C16H11ClN4O3S2 MolecularWeight: 406.86654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCC#N)Cl

InChI

InChI=1S/C16H11ClN4O3S2/c17-11-2-4-12(5-3-11)26(23,24)21-16-20-13-6-1-10(9-14(13)25-16)15(22)19-8-7-18/h1-6,9H,8H2,(H,19,22)(H,20,21)