2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C19H19N3O6S3 MolecularWeight: 481.56566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O6S3/c1-12(23)13-4-6-14(7-5-13)31(27,28)22(2)11-18(24)21-19-20-16-9-8-15(30(3,25)26)10-17(16)29-19/h4-10H,11H2,1-3H3,(H,20,21,24)