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

Systemtic Name: N-[(2-pyrrol-1-ylthiophen-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2-pyrrol-1-yl-3-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[2-(1-pyrrolyl)-3-thiophenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2-pyrrol-1-ylthiophen-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(2-pyrrol-1-yl-3-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=C(SC=C3)N4C=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=C(SC=C3)N4C=CC=C4)OC1

InChI

InChI=1S/C18H18N2O4S2/c21-26(22,15-4-5-16-17(12-15)24-10-3-9-23-16)19-13-14-6-11-25-18(14)20-7-1-2-8-20/h1-2,4-8,11-12,19H,3,9-10,13H2