5-bromanyl-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-bromo-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-benzenesulfonamide CAS Name: 5-bromo-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-bromo-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methoxybenzenesulfonamide Traditional Name: 5-bromo-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-benzenesulfonamide Formula: C20H24BrNO5S MolecularWeight: 470.37726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H24BrNO5S/c1-13(2)20(14-5-7-16-18(11-14)27-10-4-9-26-16)22-28(23,24)19-12-15(21)6-8-17(19)25-3/h5-8,11-13,20,22H,4,9-10H2,1-3H3/t20-/m1/s1