N-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)OC1

InChI

InChI=1S/C21H17NO4S2/c23-28(24,19-9-10-20-21(15-19)26-12-3-11-25-20)22-17-5-1-4-16(14-17)7-8-18-6-2-13-27-18/h1-2,4-6,9-10,13-15,22H,3,11-12H2