5-[(4-methyl-2-nitro-phenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

Systemtic Name: 5-[(4-methyl-2-nitro-phenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide Openeye Name: 5-[(4-methyl-2-nitro-phenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide CAS Name: 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-furancarboxamide IUPAC Name: 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furamide Formula: C21H17N3O7S2 MolecularWeight: 487.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S2/c1-12-3-7-17(16(9-12)24(26)27)30-11-13-4-8-18(31-13)20(25)23-21-22-15-6-5-14(33(2,28)29)10-19(15)32-21/h3-10H,11H2,1-2H3,(H,22,23,25)