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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-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=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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