N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonyl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-2-methylsulfonyl-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-2-methylsulfonylbenzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-2-mesyl-benzamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

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