N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-(6-chlorothiochroman-4-yl)furan-2-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-furancarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)furan-2-carboxamide Traditional Name: 3-(besylmethyl)-N-(6-chlorothiochroman-4-yl)-2-furamide Formula: C21H18ClNO4S2 MolecularWeight: 447.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C21H18ClNO4S2/c22-15-6-7-19-17(12-15)18(9-11-28-19)23-21(24)20-14(8-10-27-20)13-29(25,26)16-4-2-1-3-5-16/h1-8,10,12,18H,9,11,13H2,(H,23,24)