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

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S2/c1-4-23(5-2)11-12-24(20(26)15-7-6-8-16(13-15)25(27)28)21-22-18-10-9-17(32(3,29)30)14-19(18)31-21/h6-10,13-14H,4-5,11-12H2,1-3H3