N3-cyclopropyl-N1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,3-disulfonamide

Systemtic Name: N3-cyclopropyl-N1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,3-disulfonamide Openeye Name: N3-cyclopropyl-N1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,3-disulfonamide CAS Name: N3-cyclopropyl-N1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,3-disulfonamide IUPAC Name: 3-N-cyclopropyl-1-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,3-disulfonamide Traditional Name: N'-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,3-disulfonamide Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4)OC1

InChI

InChI=1S/C18H20N2O6S2/c21-27(22,19-13-5-6-13)15-3-1-4-16(12-15)28(23,24)20-14-7-8-17-18(11-14)26-10-2-9-25-17/h1,3-4,7-8,11-13,19-20H,2,5-6,9-10H2