2-ethylsulfonyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-ethylsulfonyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-ethylsulfonyl-N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-ethylsulfonyl-N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-ethylsulfonyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-esyl-N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H20N2O6S3 MolecularWeight: 504.599

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O6S3/c1-3-33(28,29)20-9-5-4-8-17(20)21(25)24(14-15-7-6-12-30-15)22-23-18-11-10-16(32(2,26)27)13-19(18)31-22/h4-13H,3,14H2,1-2H3