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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(2-thienyl)-2-tosyl-ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C22H21NO5S2/c1-15-8-10-16(11-9-15)30(25,26)21(20-7-4-12-29-20)13-23-22(24)19-14-27-17-5-2-3-6-18(17)28-19/h2-12,19,21H,13-14H2,1H3,(H,23,24)