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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C20H21N3O4S2/c1-12-9-13(2)19-17(10-12)28-20(22-19)21-18(25)11-23(4)29(26,27)16-7-5-15(6-8-16)14(3)24/h5-10H,11H2,1-4H3,(H,21,22,25)