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

Systemtic Name: N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-methyl-N-[(4-morpholinophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-N-(4-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=C(C=C1)N2CCOCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O5S/c1-22(16-17-3-5-18(6-4-17)23-9-13-26-14-10-23)29(24,25)19-7-8-20-21(15-19)28-12-2-11-27-20/h3-8,15H,2,9-14,16H2,1H3