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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S2/c1-11-5-3-8-14-16(11)20-17(25-14)19-15(22)10-21(26(2,23)24)13-7-4-6-12(18)9-13/h3-9H,10H2,1-2H3,(H,19,20,22)