N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-furancarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide Traditional Name: 3-(besylmethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-furamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S2/c1-13-8-9-14(2)19-17(13)22-21(28-19)23-20(24)18-15(10-11-27-18)12-29(25,26)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,22,23,24)