5-chloranyl-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-nitro-benzamide Formula: C17H15ClN4O5S2 MolecularWeight: 454.9078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S2/c1-3-21(2)29(26,27)11-5-6-13-15(9-11)28-17(19-13)20-16(23)12-8-10(18)4-7-14(12)22(24)25/h4-9H,3H2,1-2H3,(H,19,20,23)