N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C21H23FN4O5S2 MolecularWeight: 494.559523

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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)CS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O5S2/c1-3-24(4-2)11-12-25(20(27)14-33(30,31)17-8-5-15(22)6-9-17)21-23-18-10-7-16(26(28)29)13-19(18)32-21/h5-10,13H,3-4,11-12,14H2,1-2H3