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

Systemtic Name: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-methyl-N-[(2-morpholinophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[[2-(4-morpholinyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-N-(2-morpholinobenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCOCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCOCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O5S/c1-22(16-17-5-2-3-6-19(17)23-9-13-26-14-10-23)29(24,25)18-7-8-20-21(15-18)28-12-4-11-27-20/h2-3,5-8,15H,4,9-14,16H2,1H3