N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C17H13ClN4O3S2 MolecularWeight: 420.89312

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H13ClN4O3S2/c1-22(27(24,25)15-5-3-2-4-11(15)9-19)10-16(23)21-17-20-13-7-6-12(18)8-14(13)26-17/h2-8H,10H2,1H3,(H,20,21,23)