N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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