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

Systemtic Name: N-(2-diethylaminoethyl)-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-2-mesyl-N-(6-nitro-1,3-benzothiazol-2-yl)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)[N+](=O)[O-])C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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