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

Systemtic Name: N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N2O5S/c1-14-17(20(22-27-14)15-6-3-2-4-7-15)13-21-28(23,24)16-8-9-18-19(12-16)26-11-5-10-25-18/h2-4,6-9,12,21H,5,10-11,13H2,1H3