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

Systemtic Name: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H15N5O7S2 MolecularWeight: 465.4603

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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=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O7S2/c1-3-20(2)31(28,29)13-4-5-14-15(9-13)30-17(18-14)19-16(23)10-6-11(21(24)25)8-12(7-10)22(26)27/h4-9H,3H2,1-2H3,(H,18,19,23)