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

Systemtic Name: N-[(4-thiophen-2-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[4-(2-thienyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4-thiophen-2-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4-thiophen-2-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(2-thienyl)benzyl]-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)NCC3=CC=C(C=C3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C4=CC=CS4)OC1

InChI

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