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

Systemtic Name: N-[phenyl(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[phenyl(2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[phenyl(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[phenyl(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[phenyl(2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C4=CC=CS4)OC1

InChI

InChI=1S/C20H19NO4S2/c22-27(23,16-9-10-17-18(14-16)25-12-5-11-24-17)21-20(19-8-4-13-26-19)15-6-2-1-3-7-15/h1-4,6-10,13-14,20-21H,5,11-12H2