N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylsulfonyl-benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylsulfonyl-benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-methylsulfonyl-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-methylsulfonylbenzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylsulfonylbenzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-mesyl-benzamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C22H20N2O4S2/c1-14-6-11-19-20(15(14)2)23-22(29-19)24(13-17-5-4-12-28-17)21(25)16-7-9-18(10-8-16)30(3,26)27/h4-12H,13H2,1-3H3