N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H18ClNO4S2 MolecularWeight: 447.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3SCC4=CC=C(C=C4)Cl

InChI

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