N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-besyl-N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O5S2/c1-21(2)10-11-22(18(24)13-30(27,28)15-6-4-3-5-7-15)19-20-16-9-8-14(23(25)26)12-17(16)29-19/h3-9,12H,10-11,13H2,1-2H3