N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H18ClNO5S2 MolecularWeight: 463.95432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCC(C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NCC(C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClNO5S2/c22-14-7-9-15(10-8-14)30(25,26)20(19-6-3-11-29-19)12-23-21(24)18-13-27-16-4-1-2-5-17(16)28-18/h1-11,18,20H,12-13H2,(H,23,24)