N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H22N4O7S2 MolecularWeight: 518.56268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N(CC=C)CC=C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N(CC=C)CC=C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O7S2/c1-5-9-25(10-6-2)35(30,31)14-7-8-16-20(11-14)34-22(23-16)24-21(27)15-12-18(32-3)19(33-4)13-17(15)26(28)29/h5-8,11-13H,1-2,9-10H2,3-4H3,(H,23,24,27)