N-(2-dimethylaminoethyl)-3-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-3-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-mesyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide 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)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S2/c1-21(2)9-10-22(18(24)13-5-4-6-15(11-13)30(3,27)28)19-20-16-8-7-14(23(25)26)12-17(16)29-19/h4-8,11-12H,9-10H2,1-3H3