1-[(5-methylsulfonyl-2,1-benzothiazol-3-yl)amino]butan-2-one

Systemtic Name: 1-[(5-methylsulfonyl-2,1-benzothiazol-3-yl)amino]butan-2-one Openeye Name: 1-[(5-methylsulfonyl-2,1-benzothiazol-3-yl)amino]butan-2-one CAS Name: 1-[(5-methylsulfonyl-2,1-benzothiazol-3-yl)amino]-2-butanone IUPAC Name: 1-[(5-methylsulfonyl-2,1-benzothiazol-3-yl)amino]butan-2-one Traditional Name: 1-[(5-mesyl-2,1-benzothiazol-3-yl)amino]butan-2-one Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CNC1=C2C=C(C=CC2=NS1)S(=O)(=O)C

Isomeric SMILES

CCC(=O)CNC1=C2C=C(C=CC2=NS1)S(=O)(=O)C

InChI

InChI=1S/C12H14N2O3S2/c1-3-8(15)7-13-12-10-6-9(19(2,16)17)4-5-11(10)14-18-12/h4-6,13H,3,7H2,1-2H3