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

Systemtic Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C17H16FN3O3S3 MolecularWeight: 425.520643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O3S3/c1-21(27(23,24)13-6-3-11(18)4-7-13)10-16(22)19-12-5-8-14-15(9-12)26-17(20-14)25-2/h3-9H,10H2,1-2H3,(H,19,22)