N,N-bis(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N,N-bis(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N,N-bis(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N,N-bis(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N,N-bis(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N,N-bis(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4)OC1

InChI

InChI=1S/C21H21N3O4S/c25-29(26,19-8-9-20-21(14-19)28-13-5-12-27-20)24(15-17-6-1-3-10-22-17)16-18-7-2-4-11-23-18/h1-4,6-11,14H,5,12-13,15-16H2