N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(4-chlorophenyl)-2-(2-thienylsulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(4-chlorophenyl)-2-(2-thienylsulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H18ClNO6S3 MolecularWeight: 500.00802

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC(C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC(C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H18ClNO6S3/c21-15-5-3-14(4-6-15)19(30(23,24)20-2-1-11-29-20)13-22-31(25,26)16-7-8-17-18(12-16)28-10-9-27-17/h1-8,11-12,19,22H,9-10,13H2