N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N(CC=C)CC=C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N(CC=C)CC=C

InChI

InChI=1S/C21H20N4O5S2/c1-4-11-24(12-5-2)32(29,30)15-9-10-17-19(13-15)31-21(22-17)23-20(26)16-7-6-8-18(14(16)3)25(27)28/h4-10,13H,1-2,11-12H2,3H3,(H,22,23,26)